2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

C16H24N2O3 — CID 63066150

IUPAC2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1ccccc1C(C)NC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)9-18(10-15(19)20)16(21)17-13(4)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyCDPQBKSFWFXRNL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.81
Rot. Bonds6

About 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63066150) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63066150
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1ccccc1C(C)NC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)9-18(10-15(19)20)16(21)17-13(4)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyCDPQBKSFWFXRNL-UHFFFAOYSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
CID 63064367
2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 43442483
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066149
1-butyl-1-ethyl-3-[1-(2-methylphenyl)ethyl]urea
CID 86998783
2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63064912
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
3-[methyl-[1-[1-(2-methylphenyl)ethylamino]-1-oxopropan-2-yl]amino]propanoic acid
CID 119911517
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539
2-[2-methylpropyl-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63065984
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (CID 63066150) is 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is Cc1ccccc1C(C)NC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is CDPQBKSFWFXRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)9-18(10-15(19)20)16(21)17-13(4)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).