N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide

C17H25FN2O2 — CID 119659917

IUPACN-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-12(2)15(19)10-11-20(3)17(22)9-8-16(21)13-4-6-14(18)7-5-13/h4-7,12,15H,8-11,19H2,1-3H3
InChIKeyFBRGSTPSDAWNJX-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.62
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide

N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide (PubChem CID 119659917) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
PubChem CID119659917
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-12(2)15(19)10-11-20(3)17(22)9-8-16(21)13-4-6-14(18)7-5-13/h4-7,12,15H,8-11,19H2,1-3H3
InChIKeyFBRGSTPSDAWNJX-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]-methylamino]propanoic acid
CID 119362286
N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 119657344
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide (CID 119659917) is N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide is CC(C)C(N)CCN(C)C(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide?
The InChIKey is FBRGSTPSDAWNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(2)15(19)10-11-20(3)17(22)9-8-16(21)13-4-6-14(18)7-5-13/h4-7,12,15H,8-11,19H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide?
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide has a molecular weight of 308.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 119659917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).