2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid

C15H22N2O4 — CID 61182733

IUPAC2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-10-15(3,13(18)19)17-14(20)16-11-6-8-12(9-7-11)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyRAFQINOYLDZIDC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds7

About 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid

2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid (PubChem CID 61182733) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
PubChem CID61182733
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-10-15(3,13(18)19)17-14(20)16-11-6-8-12(9-7-11)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyRAFQINOYLDZIDC-UHFFFAOYSA-N
XLogP2.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
2-[[4-(cyanomethyl)phenyl]carbamoylamino]-2-methylpentanoic acid
CID 62301210
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 79791702
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 62812916
2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
CID 119192325
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid (CID 61182733) is 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)Nc1ccc(OCC)cc1)C(=O)O.
What is the InChIKey of 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid?
The InChIKey is RAFQINOYLDZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-10-15(3,13(18)19)17-14(20)16-11-6-8-12(9-7-11)21-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid?
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 61182733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).