2-(benzylamino)-N-(2-methylpropyl)propanamide

C14H22N2O — CID 43086806

IUPAC2-(benzylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)9-16-14(17)12(3)15-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyMBHCAIZKJNDHJS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds6

About 2-(benzylamino)-N-(2-methylpropyl)propanamide

2-(benzylamino)-N-(2-methylpropyl)propanamide (PubChem CID 43086806) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2-methylpropyl)propanamide
PubChem CID43086806
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(benzylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)9-16-14(17)12(3)15-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyMBHCAIZKJNDHJS-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
CID 115579712
N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 115591536
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(benzylamino)-N-(2-methylpropyl)propanamide (CID 43086806) is 2-(benzylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(benzylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(benzylamino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is MBHCAIZKJNDHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)9-16-14(17)12(3)15-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(benzylamino)-N-(2-methylpropyl)propanamide?
2-(benzylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).