2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid

C15H22N2O4 — CID 81036613

IUPAC2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
SMILESCc1cccc(NC(=O)N(C)CCOC(C)C)c1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)21-9-8-17(4)15(20)16-12-7-5-6-11(3)13(12)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyHTCUPAGBDJLNME-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.58
Rot. Bonds6

About 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid

2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid (PubChem CID 81036613) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
PubChem CID81036613
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
SMILESCc1cccc(NC(=O)N(C)CCOC(C)C)c1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)21-9-8-17(4)15(20)16-12-7-5-6-11(3)13(12)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyHTCUPAGBDJLNME-UHFFFAOYSA-N
XLogP2.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036622
3-methyl-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81035451
2-[[5-hydroxypentyl(methyl)carbamoyl]amino]-6-methylbenzoic acid
CID 107201429
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81037873
2-acetamido-6-methylbenzoic acid
CID 2801400
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 113458477
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]benzoic acid
CID 81038080
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid (CID 81036613) is 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid is Cc1cccc(NC(=O)N(C)CCOC(C)C)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid?
The InChIKey is HTCUPAGBDJLNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)21-9-8-17(4)15(20)16-12-7-5-6-11(3)13(12)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid?
2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 81036613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).