2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid

C15H22N2O3 — CID 61199656

IUPAC2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
SMILESCCN(CC(C)C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-16(10-12(2)3)15(20)17(11-14(18)19)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyIEKQAMBENQOMES-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.68
Rot. Bonds6

About 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid

2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid (PubChem CID 61199656) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
PubChem CID61199656
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
SMILESCCN(CC(C)C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-16(10-12(2)3)15(20)17(11-14(18)19)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyIEKQAMBENQOMES-UHFFFAOYSA-N
XLogP2.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-(N-[methyl(pentan-3-yl)carbamoyl]anilino)acetic acid
CID 61202713
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid
CID 107481830
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065620
N-(2-methylpropyl)-N-phenylcarbamoyl chloride
CID 20551108
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065968
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978

Frequently Asked Questions

What is the IUPAC name of 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid?
The IUPAC name of 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid (CID 61199656) is 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid is CCN(CC(C)C)C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid?
The InChIKey is IEKQAMBENQOMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-16(10-12(2)3)15(20)17(11-14(18)19)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid?
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid is sourced from PubChem (CID 61199656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).