(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide

C19H24N2O — CID 9248607

IUPAC(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O/c1-13-10-11-18(14(2)12-13)21-19(22)16(4)20-15(3)17-8-6-5-7-9-17/h5-12,15-16,20H,1-4H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyDPPAAXQEGUSQHY-CVEARBPZSA-N
MW296.41 g/mol
LogP3.98
Rot. Bonds5

About (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide

(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide (PubChem CID 9248607) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
PubChem CID9248607
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O/c1-13-10-11-18(14(2)12-13)21-19(22)16(4)20-15(3)17-8-6-5-7-9-17/h5-12,15-16,20H,1-4H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyDPPAAXQEGUSQHY-CVEARBPZSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244084
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161212
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
The IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide (CID 9248607) is (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide is Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)c(C)c1.
What is the InChIKey of (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
The InChIKey is DPPAAXQEGUSQHY-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-10-11-18(14(2)12-13)21-19(22)16(4)20-15(3)17-8-6-5-7-9-17/h5-12,15-16,20H,1-4H3,(H,21,22)/t15-,16+/m1/s1.
What are the key properties of (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide has a molecular weight of 296.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 9248607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).