2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid

C19H18N2O4 — CID 54019383

IUPAC2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)C=Cc1ccccc1)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-21(16(22)13-12-14-8-4-2-5-9-14)19(25)20-17(18(23)24)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,20,25)(H,23,24)
InChIKeyKXWISLMKAHUBHL-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.69
Rot. Bonds5

About 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid

2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 54019383) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID54019383
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)C=Cc1ccccc1)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-21(16(22)13-12-14-8-4-2-5-9-14)19(25)20-17(18(23)24)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,20,25)(H,23,24)
InChIKeyKXWISLMKAHUBHL-UHFFFAOYSA-N
XLogP2.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444954
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
CID 71375700
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide
CID 10736922
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444873
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444788
N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid (CID 54019383) is 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid is CN(C(=O)C=Cc1ccccc1)C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is KXWISLMKAHUBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21(16(22)13-12-14-8-4-2-5-9-14)19(25)20-17(18(23)24)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid?
2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 338.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 54019383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).