4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid

C14H20N2O3 — CID 43329801

IUPAC4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
SMILESCCN(C(=O)N(C)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(12-8-5-4-6-9-12)14(19)15(2)11-7-10-13(17)18/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,17,18)
InChIKeyPUVCDEDSZPHTLX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.43
Rot. Bonds6

About 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid

4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid (PubChem CID 43329801) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
PubChem CID43329801
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
SMILESCCN(C(=O)N(C)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(12-8-5-4-6-9-12)14(19)15(2)11-7-10-13(17)18/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,17,18)
InChIKeyPUVCDEDSZPHTLX-UHFFFAOYSA-N
XLogP2.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
CID 62335673
4-(N-ethylanilino)butanoic acid
CID 11390560
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
CID 62338366
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid (CID 43329801) is 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid is CCN(C(=O)N(C)CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid?
The InChIKey is PUVCDEDSZPHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(12-8-5-4-6-9-12)14(19)15(2)11-7-10-13(17)18/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid?
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 43329801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).