(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide

C20H23N3O3 — CID 140999664

IUPAC(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide
SMILESCc1cccc(CC(=O)N[C@@H](C)C(=O)NC(=O)[C@H](N)c2ccccc2)c1
InChIInChI=1S/C20H23N3O3/c1-13-7-6-8-15(11-13)12-17(24)22-14(2)19(25)23-20(26)18(21)16-9-4-3-5-10-16/h3-11,14,18H,12,21H2,1-2H3,(H,22,24)(H,23,25,26)/t14-,18+/m0/s1
InChIKeyXRHTZAHTARXZMC-KBXCAEBGSA-N
MW353.42 g/mol
LogP1.39
Rot. Bonds6

About (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide

(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide (PubChem CID 140999664) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide
PubChem CID140999664
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide
SMILESCc1cccc(CC(=O)N[C@@H](C)C(=O)NC(=O)[C@H](N)c2ccccc2)c1
InChIInChI=1S/C20H23N3O3/c1-13-7-6-8-15(11-13)12-17(24)22-14(2)19(25)23-20(26)18(21)16-9-4-3-5-10-16/h3-11,14,18H,12,21H2,1-2H3,(H,22,24)(H,23,25,26)/t14-,18+/m0/s1
InChIKeyXRHTZAHTARXZMC-KBXCAEBGSA-N
XLogP1.39
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide
CID 140999621
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
CID 62388540
2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 133189902
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
2-amino-2-(3-methylphenyl)-N-propan-2-ylacetamide
CID 83532850
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114300302
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide (CID 140999664) is (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide is Cc1cccc(CC(=O)N[C@@H](C)C(=O)NC(=O)[C@H](N)c2ccccc2)c1.
What is the InChIKey of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide?
The InChIKey is XRHTZAHTARXZMC-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-7-6-8-15(11-13)12-17(24)22-14(2)19(25)23-20(26)18(21)16-9-4-3-5-10-16/h3-11,14,18H,12,21H2,1-2H3,(H,22,24)(H,23,25,26)/t14-,18+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide?
(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide has a molecular weight of 353.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 140999664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).