(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide

C20H23N3O3 — CID 101192058

IUPAC(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
SMILESCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-14-19(25)23-18(12-16-8-4-2-5-9-16)20(26)22-13-17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyYDOXEZCTWBZHKM-GOSISDBHSA-N
MW353.42 g/mol
LogP1.17
Rot. Bonds8

About (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide

(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide (PubChem CID 101192058) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
PubChem CID101192058
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
SMILESCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-14-19(25)23-18(12-16-8-4-2-5-9-16)20(26)22-13-17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyYDOXEZCTWBZHKM-GOSISDBHSA-N
XLogP1.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 42706052
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
(2S)-2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
CID 101132689
(2S)-N-ethyl-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-3-phenylpropanamide
CID 135192567
(2S)-2-amino-N-[2-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 102315829
2-[(2-acetamidoacetyl)amino]-5-(methylamino)-N-[2-oxo-2-[[1-oxo-1-(2-oxoethylamino)-3-phenylpropan-2-yl]amino]ethyl]pentanamide
CID 126763325
(2S)-2-acetamido-N-[(2S)-1-[[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
CID 71413189
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
2-benzyl-N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxybutanediamide
CID 74996200
benzyl N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 12919697

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide (CID 101192058) is (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide is CC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide?
The InChIKey is YDOXEZCTWBZHKM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)21-14-19(25)23-18(12-16-8-4-2-5-9-16)20(26)22-13-17-10-6-3-7-11-17/h2-11,18H,12-14H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide?
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide is sourced from PubChem (CID 101192058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).