(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide

C19H24N2O — CID 7986637

IUPAC(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H24N2O/c1-13(2)17-7-5-6-8-18(17)20-15(4)19(22)21-16-11-9-14(3)10-12-16/h5-13,15,20H,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyNZMWVZVIRFSZCM-HNNXBMFYSA-N
MW296.41 g/mol
LogP4.56
Rot. Bonds5

About (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide

(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide (PubChem CID 7986637) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
PubChem CID7986637
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H24N2O/c1-13(2)17-7-5-6-8-18(17)20-15(4)19(22)21-16-11-9-14(3)10-12-16/h5-13,15,20H,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyNZMWVZVIRFSZCM-HNNXBMFYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)propanamide
CID 43088669
2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide
CID 107599095
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 25409868
(2R)-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)propanamide
CID 41284487
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide?
The IUPAC name of (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide (CID 7986637) is (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide is Cc1ccc(NC(=O)[C@H](C)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide?
The InChIKey is NZMWVZVIRFSZCM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13(2)17-7-5-6-8-18(17)20-15(4)19(22)21-16-11-9-14(3)10-12-16/h5-13,15,20H,1-4H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide?
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide has a molecular weight of 296.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 7986637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).