N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide

C16H26N2O — CID 63753250

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-15(11-17)18-16(19)8-7-14-6-4-5-13(3)10-14/h4-6,10,12,15H,7-9,11,17H2,1-3H3,(H,18,19)
InChIKeyBRTCDGNGJCFLNW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.42
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide

N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide (PubChem CID 63753250) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
PubChem CID63753250
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(CN)CC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-15(11-17)18-16(19)8-7-14-6-4-5-13(3)10-14/h4-6,10,12,15H,7-9,11,17H2,1-3H3,(H,18,19)
InChIKeyBRTCDGNGJCFLNW-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119586699
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
CID 113276046
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 119587844
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide (CID 63753250) is N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC(CN)CC(C)C)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is BRTCDGNGJCFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-15(11-17)18-16(19)8-7-14-6-4-5-13(3)10-14/h4-6,10,12,15H,7-9,11,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide?
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 63753250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).