(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide

C21H27N3O2 — CID 155963661

IUPAC(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)[C@H](CC)NC(=O)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-3-19(21(26)22-4-2)23-20(25)16-24(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyTXMJVRZYGUHOJQ-IBGZPJMESA-N
MW353.47 g/mol
LogP2.72
Rot. Bonds9

About (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide

(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide (PubChem CID 155963661) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide
PubChem CID155963661
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)[C@H](CC)NC(=O)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-3-19(21(26)22-4-2)23-20(25)16-24(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyTXMJVRZYGUHOJQ-IBGZPJMESA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
(2S)-N-ethyl-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-3-phenylpropanamide
CID 135192567
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
CID 109010688
2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 18230288
N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide
CID 78825845
N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide
CID 60550490
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]butanoic acid
CID 120523315
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide?
The IUPAC name of (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide (CID 155963661) is (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide.
What is the SMILES notation for (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide?
The canonical SMILES for (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide is CCNC(=O)[C@H](CC)NC(=O)CN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide?
The InChIKey is TXMJVRZYGUHOJQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-19(21(26)22-4-2)23-20(25)16-24(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide?
(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide has a molecular weight of 353.47 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 155963661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).