(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide

C21H26N2O — CID 25431954

IUPAC(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O/c1-3-16-9-13-19(14-10-16)23-21(24)15(2)22-20(18-11-12-18)17-7-5-4-6-8-17/h4-10,13-15,18,20,22H,3,11-12H2,1-2H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyHMSGZGIKWSXIPJ-MGPUTAFESA-N
MW322.45 g/mol
LogP4.32
Rot. Bonds7

About (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide

(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide (PubChem CID 25431954) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
PubChem CID25431954
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O/c1-3-16-9-13-19(14-10-16)23-21(24)15(2)22-20(18-11-12-18)17-7-5-4-6-8-17/h4-10,13-15,18,20,22H,3,11-12H2,1-2H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyHMSGZGIKWSXIPJ-MGPUTAFESA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 115576034
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide
CID 8000313
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
CID 112811651
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097
(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
CID 95302028
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 112768865
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide (CID 25431954) is (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1.
What is the InChIKey of (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is HMSGZGIKWSXIPJ-MGPUTAFESA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-16-9-13-19(14-10-16)23-21(24)15(2)22-20(18-11-12-18)17-7-5-4-6-8-17/h4-10,13-15,18,20,22H,3,11-12H2,1-2H3,(H,23,24)/t15-,20+/m0/s1.
What are the key properties of (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 25431954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).