3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide

C19H23N3O2 — CID 119284377

IUPAC3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-21-18(23)15-10-9-13(2)17(12-15)22-19(24)16(20)11-14-7-5-4-6-8-14/h4-10,12,16H,3,11,20H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyPNOCDSCVAYXBAG-INIZCTEOSA-N
MW325.41 g/mol
LogP2.25
Rot. Bonds6

About 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide

3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide (PubChem CID 119284377) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
PubChem CID119284377
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-21-18(23)15-10-9-13(2)17(12-15)22-19(24)16(20)11-14-7-5-4-6-8-14/h4-10,12,16H,3,11,20H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyPNOCDSCVAYXBAG-INIZCTEOSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-ethyl-4-methylbenzamide
CID 61178101
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 120667168
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide (CID 119284377) is 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide?
The InChIKey is PNOCDSCVAYXBAG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-21-18(23)15-10-9-13(2)17(12-15)22-19(24)16(20)11-14-7-5-4-6-8-14/h4-10,12,16H,3,11,20H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide?
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 119284377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).