N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide

C83H139F6N5O7 — CID 159220830

IUPACN-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
SMILESCC(C)(C)CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)C(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H29F2NO.C18H27F2NO.C17H25F2NO.C15H29NO2.C14H29NO2/c1-18(2,3)12-14(17(23)22-19(4,5)6)8-7-13-9-15(20)11-16(21)10-13;1-17(2,3)15(16(22)21-18(4,5)6)8-7-12-9-13(19)11-14(20)10-12;1-11(2)15(16(21)20-17(3,4)5)7-6-12-8-13(18)10-14(19)9-12;1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h9-11,14H,7-8,12H2,1-6H3,(H,22,23);9-11,15H,7-8H2,1-6H3,(H,21,22);8-11,15H,6-7H2,1-5H3,(H,20,21);12-13H,5-11H2,1-4H3,(H,16,17);11H,8-10H2,1-7H3,(H,15,16)
InChIKeyKRQVIHYCVPGAIM-UHFFFAOYSA-N
MW1433.04 g/mol
LogP19.83
Rot. Bonds25

About N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide

N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide (PubChem CID 159220830) has the molecular formula C83H139F6N5O7 and a molecular weight of 1433.04 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
PubChem CID159220830
Molecular FormulaC83H139F6N5O7
Molecular Weight1433.04 g/mol
Exact Mass1432.06
IUPAC NameN-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
SMILESCC(C)(C)CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)C(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H29F2NO.C18H27F2NO.C17H25F2NO.C15H29NO2.C14H29NO2/c1-18(2,3)12-14(17(23)22-19(4,5)6)8-7-13-9-15(20)11-16(21)10-13;1-17(2,3)15(16(22)21-18(4,5)6)8-7-12-9-13(19)11-14(20)10-12;1-11(2)15(16(21)20-17(3,4)5)7-6-12-8-13(18)10-14(19)9-12;1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h9-11,14H,7-8,12H2,1-6H3,(H,22,23);9-11,15H,7-8H2,1-6H3,(H,21,22);8-11,15H,6-7H2,1-5H3,(H,20,21);12-13H,5-11H2,1-4H3,(H,16,17);11H,8-10H2,1-7H3,(H,15,16)
InChIKeyKRQVIHYCVPGAIM-UHFFFAOYSA-N
XLogP19.83
TPSA163.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.04
LogP ≤ 519.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide (CID 159220830) is N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide is CC(C)(C)CC(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)C(CCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The InChIKey is KRQVIHYCVPGAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2NO.C18H27F2NO.C17H25F2NO.C15H29NO2.C14H29NO2/c1-18(2,3)12-14(17(23)22-19(4,5)6)8-7-13-9-15(20)11-16(21)10-13;1-17(2,3)15(16(22)21-18(4,5)6)8-7-12-9-13(19)11-14(20)10-12;1-11(2)15(16(21)20-17(3,4)5)7-6-12-8-13(18)10-14(19)9-12;1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h9-11,14H,7-8,12H2,1-6H3,(H,22,23);9-11,15H,7-8H2,1-6H3,(H,21,22);8-11,15H,6-7H2,1-5H3,(H,20,21);12-13H,5-11H2,1-4H3,(H,16,17);11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide has a molecular weight of 1433.04 g/mol, XLogP of 19.83, 25 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 159220830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).