N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide

C89H125F10N5O10 — CID 158568071

IUPACN-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
SMILESC=C(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.CC(C)(C)NC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1.CC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27F2NO2.2C18H25F2NO2.C17H25F2NO2.C17H23F2NO2/c1-19(2,3)22-18(23)17(10-13-6-4-5-7-13)24-12-14-8-15(20)11-16(21)9-14;1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13;2*1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23);6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22);7-9,11,15H,6,10H2,1-5H3,(H,20,21);7-9,15H,1,6,10H2,2-5H3,(H,20,21)
InChIKeyHRSPMVUCIFGJQY-UHFFFAOYSA-N
MW1614.98 g/mol
LogP19.65
Rot. Bonds30

About N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide

N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide (PubChem CID 158568071) has the molecular formula C89H125F10N5O10 and a molecular weight of 1614.98 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
PubChem CID158568071
Molecular FormulaC89H125F10N5O10
Molecular Weight1614.98 g/mol
Exact Mass1613.93
IUPAC NameN-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
SMILESC=C(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.CC(C)(C)NC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1.CC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27F2NO2.2C18H25F2NO2.C17H25F2NO2.C17H23F2NO2/c1-19(2,3)22-18(23)17(10-13-6-4-5-7-13)24-12-14-8-15(20)11-16(21)9-14;1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13;2*1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23);6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22);7-9,11,15H,6,10H2,1-5H3,(H,20,21);7-9,15H,1,6,10H2,2-5H3,(H,20,21)
InChIKeyHRSPMVUCIFGJQY-UHFFFAOYSA-N
XLogP19.65
TPSA191.65 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms114
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001614.98
LogP ≤ 519.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide (CID 158568071) is N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide is C=C(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.CC(C)(C)NC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1.CC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide?
The InChIKey is HRSPMVUCIFGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO2.2C18H25F2NO2.C17H25F2NO2.C17H23F2NO2/c1-19(2,3)22-18(23)17(10-13-6-4-5-7-13)24-12-14-8-15(20)11-16(21)9-14;1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13;2*1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23);6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22);7-9,11,15H,6,10H2,1-5H3,(H,20,21);7-9,15H,1,6,10H2,2-5H3,(H,20,21).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide?
N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide has a molecular weight of 1614.98 g/mol, XLogP of 19.65, 30 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide is sourced from PubChem (CID 158568071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).