3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid

C21H24N2O4 — CID 119218879

IUPAC3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(c2ccccc2)C(C)C(=O)O)c1
InChIInChI=1S/C21H24N2O4/c1-4-23(3)20(25)17-12-8-11-16(13-17)19(24)22-18(14(2)21(26)27)15-9-6-5-7-10-15/h5-14,18H,4H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyXMGATNTZGCVBLZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.97
Rot. Bonds7

About 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid

3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 119218879) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID119218879
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(c2ccccc2)C(C)C(=O)O)c1
InChIInChI=1S/C21H24N2O4/c1-4-23(3)20(25)17-12-8-11-16(13-17)19(24)22-18(14(2)21(26)27)15-9-6-5-7-10-15/h5-14,18H,4H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyXMGATNTZGCVBLZ-UHFFFAOYSA-N
XLogP2.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-3-methylpentanoic acid
CID 119211823
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188321
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548194
3-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218999
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
3-[(3-ethylthiophene-2-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219102
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119348612
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid (CID 119218879) is 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid is CCN(C)C(=O)c1cccc(C(=O)NC(c2ccccc2)C(C)C(=O)O)c1.
What is the InChIKey of 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is XMGATNTZGCVBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-23(3)20(25)17-12-8-11-16(13-17)19(24)22-18(14(2)21(26)27)15-9-6-5-7-10-15/h5-14,18H,4H2,1-3H3,(H,22,24)(H,26,27).
What are the key properties of 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid?
3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 119218879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).