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

C84H135F6N5O10 — CID 158003256

IUPACN-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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(CC1CCCC1)OCc1cc(F)cc(F)c1.CC(C)(C)NC(=O)C(OCC1CCCC1)C(C)(C)C.CC(C)C(OCC1CCCC1)C(=O)NC(C)(C)C.CC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27F2NO2.C17H25F2NO2.C17H23F2NO2.C16H31NO2.C15H29NO2/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;2*1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12;1-15(2,3)13(14(18)17-16(4,5)6)19-11-12-9-7-8-10-12;1-11(2)13(14(17)16-15(3,4)5)18-10-12-8-6-7-9-12/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23);7-9,11,15H,6,10H2,1-5H3,(H,20,21);7-9,15H,1,6,10H2,2-5H3,(H,20,21);12-13H,7-11H2,1-6H3,(H,17,18);11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyFDZGNTVTWDTZKR-UHFFFAOYSA-N
MW1489.02 g/mol
LogP18.54
Rot. Bonds27

About N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide (PubChem CID 158003256) has the molecular formula C84H135F6N5O10 and a molecular weight of 1489.02 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
PubChem CID158003256
Molecular FormulaC84H135F6N5O10
Molecular Weight1489.02 g/mol
Exact Mass1488.01
IUPAC NameN-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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(CC1CCCC1)OCc1cc(F)cc(F)c1.CC(C)(C)NC(=O)C(OCC1CCCC1)C(C)(C)C.CC(C)C(OCC1CCCC1)C(=O)NC(C)(C)C.CC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27F2NO2.C17H25F2NO2.C17H23F2NO2.C16H31NO2.C15H29NO2/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;2*1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12;1-15(2,3)13(14(18)17-16(4,5)6)19-11-12-9-7-8-10-12;1-11(2)13(14(17)16-15(3,4)5)18-10-12-8-6-7-9-12/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23);7-9,11,15H,6,10H2,1-5H3,(H,20,21);7-9,15H,1,6,10H2,2-5H3,(H,20,21);12-13H,7-11H2,1-6H3,(H,17,18);11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyFDZGNTVTWDTZKR-UHFFFAOYSA-N
XLogP18.54
TPSA191.65 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001489.02
LogP ≤ 518.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide (CID 158003256) is N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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(CC1CCCC1)OCc1cc(F)cc(F)c1.CC(C)(C)NC(=O)C(OCC1CCCC1)C(C)(C)C.CC(C)C(OCC1CCCC1)C(=O)NC(C)(C)C.CC(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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 FDZGNTVTWDTZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO2.C17H25F2NO2.C17H23F2NO2.C16H31NO2.C15H29NO2/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;2*1-11(2)6-15(16(21)20-17(3,4)5)22-10-12-7-13(18)9-14(19)8-12;1-15(2,3)13(14(18)17-16(4,5)6)19-11-12-9-7-8-10-12;1-11(2)13(14(17)16-15(3,4)5)18-10-12-8-6-7-9-12/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23);7-9,11,15H,6,10H2,1-5H3,(H,20,21);7-9,15H,1,6,10H2,2-5H3,(H,20,21);12-13H,7-11H2,1-6H3,(H,17,18);11-13H,6-10H2,1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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 1489.02 g/mol, XLogP of 18.54, 27 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide;N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide;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 158003256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).