3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid

C14H20N2O3 — CID 64700830

IUPAC3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(C(=O)NC(C)(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-16(11-8-6-5-7-9-11)13(19)15-14(2,3)10-12(17)18/h5-9H,4,10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyUZYRQOLJBVDERS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.48
Rot. Bonds5

About 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid

3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 64700830) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID64700830
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(C(=O)NC(C)(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-16(11-8-6-5-7-9-11)13(19)15-14(2,3)10-12(17)18/h5-9H,4,10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyUZYRQOLJBVDERS-UHFFFAOYSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300227
4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048002
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide
CID 58474619
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid (CID 64700830) is 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid is CCN(C(=O)NC(C)(C)CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is UZYRQOLJBVDERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(11-8-6-5-7-9-11)13(19)15-14(2,3)10-12(17)18/h5-9H,4,10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid?
3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64700830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).