N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide

C17H26F2N2O — CID 119659377

IUPACN-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C17H26F2N2O/c1-12(2)16(20)9-10-21(3)17(22)6-4-5-13-7-8-14(18)15(19)11-13/h7-8,11-12,16H,4-6,9-10,20H2,1-3H3
InChIKeyFTMHQROUJUZFKY-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.12
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide

N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide (PubChem CID 119659377) has the molecular formula C17H26F2N2O and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
PubChem CID119659377
Molecular FormulaC17H26F2N2O
Molecular Weight312.40 g/mol
Exact Mass312.20
IUPAC NameN-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C17H26F2N2O/c1-12(2)16(20)9-10-21(3)17(22)6-4-5-13-7-8-14(18)15(19)11-13/h7-8,11-12,16H,4-6,9-10,20H2,1-3H3
InChIKeyFTMHQROUJUZFKY-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490653
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
CID 115176980
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
CID 119659917
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide (CID 119659377) is N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide is CC(C)C(N)CCN(C)C(=O)CCCc1ccc(F)c(F)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide?
The InChIKey is FTMHQROUJUZFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O/c1-12(2)16(20)9-10-21(3)17(22)6-4-5-13-7-8-14(18)15(19)11-13/h7-8,11-12,16H,4-6,9-10,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide?
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide has a molecular weight of 312.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide is sourced from PubChem (CID 119659377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).