(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide

C14H22N2O — CID 94434276

IUPAC(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
SMILESCCCCc1ccc(NC(=O)[C@H](C)NC)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-6-12-7-9-13(10-8-12)16-14(17)11(2)15-3/h7-11,15H,4-6H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyWAZOYYZRIBWVAM-NSHDSACASA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds6

About (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide

(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide (PubChem CID 94434276) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
PubChem CID94434276
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
SMILESCCCCc1ccc(NC(=O)[C@H](C)NC)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-6-12-7-9-13(10-8-12)16-14(17)11(2)15-3/h7-11,15H,4-6H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyWAZOYYZRIBWVAM-NSHDSACASA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
3-[4-[2-(methylamino)propanoylamino]phenyl]propanoic acid
CID 115339976
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
3-(4-butylanilino)butan-2-one
CID 102224780
(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692
(2S,3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 45483299
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide (CID 94434276) is (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide is CCCCc1ccc(NC(=O)[C@H](C)NC)cc1.
What is the InChIKey of (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide?
The InChIKey is WAZOYYZRIBWVAM-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-12-7-9-13(10-8-12)16-14(17)11(2)15-3/h7-11,15H,4-6H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide?
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-butylphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 94434276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).