2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid

C15H22N2O3 — CID 103463334

IUPAC2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid
SMILESCCC(C)(C)CNC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-15(2,3)11-16-14(20)17(10-13(18)19)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLAPOIHXHDLBMDH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.72
Rot. Bonds6

About 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid

2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid (PubChem CID 103463334) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid
PubChem CID103463334
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid
SMILESCCC(C)(C)CNC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-15(2,3)11-16-14(20)17(10-13(18)19)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLAPOIHXHDLBMDH-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-N-[(2-methoxy-2-methylpropyl)carbamoyl]anilino]acetic acid
CID 104763947
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea
CID 113213383
2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
CID 61499192
2-[N-(pent-4-ynylcarbamoyl)anilino]acetic acid
CID 113364158
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
CID 62634827
2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
CID 61181285
2-[N-[(2-methylthiolan-2-yl)methylcarbamoyl]anilino]acetic acid
CID 80743642

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid (CID 103463334) is 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid is CCC(C)(C)CNC(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid?
The InChIKey is LAPOIHXHDLBMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-15(2,3)11-16-14(20)17(10-13(18)19)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid?
2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 103463334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).