5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid

C15H22N2O3 — CID 63653720

IUPAC5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCN(CC(C)C)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-5-17(9-10(2)3)15(20)16-12-7-6-11(4)13(8-12)14(18)19/h6-8,10H,5,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyGCVXLZHZGCZFJI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.20
Rot. Bonds5

About 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid

5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 63653720) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID63653720
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCN(CC(C)C)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-5-17(9-10(2)3)15(20)16-12-7-6-11(4)13(8-12)14(18)19/h6-8,10H,5,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyGCVXLZHZGCZFJI-UHFFFAOYSA-N
XLogP3.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296697
5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653892
2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 63653370
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 79480960
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
5-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
2-chloro-4-[[ethyl(2-methylbutyl)carbamoyl]amino]benzoic acid
CID 79480959
2-bromo-5-[[2-cyanopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 115296818
4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61194941
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid (CID 63653720) is 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid is CCN(CC(C)C)C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is GCVXLZHZGCZFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-17(9-10(2)3)15(20)16-12-7-6-11(4)13(8-12)14(18)19/h6-8,10H,5,9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 63653720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).