2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid

C15H22N2O3 — CID 63653370

IUPAC2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
SMILESCc1ccc(NC(=O)N(C)CCC(C)C)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)7-8-17(4)15(20)16-12-6-5-11(3)13(9-12)14(18)19/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyOBAZTZRTTQYZJW-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.20
Rot. Bonds5

About 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid

2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid (PubChem CID 63653370) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
PubChem CID63653370
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
SMILESCc1ccc(NC(=O)N(C)CCC(C)C)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)7-8-17(4)15(20)16-12-6-5-11(3)13(9-12)14(18)19/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyOBAZTZRTTQYZJW-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-chloro-4-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 61429324
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
5-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylbenzoic acid
CID 63653548
2-bromo-5-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296696
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 61429218
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 55061089
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
3-[4-[[methyl(3-methylbutyl)carbamoyl]amino]phenyl]prop-2-enoic acid
CID 76903971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid (CID 63653370) is 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid is Cc1ccc(NC(=O)N(C)CCC(C)C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid?
The InChIKey is OBAZTZRTTQYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)7-8-17(4)15(20)16-12-6-5-11(3)13(9-12)14(18)19/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid?
2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic 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 2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63653370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).