2-(dipropylcarbamoylamino)-5-methylbenzoic acid

C15H22N2O3 — CID 61183221

IUPAC2-(dipropylcarbamoylamino)-5-methylbenzoic acid
SMILESCCCN(CCC)C(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-8-17(9-5-2)15(20)16-13-7-6-11(3)10-12(13)14(18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyQAGAKXLIJGYMHP-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.35
Rot. Bonds6

About 2-(dipropylcarbamoylamino)-5-methylbenzoic acid

2-(dipropylcarbamoylamino)-5-methylbenzoic acid (PubChem CID 61183221) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(dipropylcarbamoylamino)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(dipropylcarbamoylamino)-5-methylbenzoic acid
PubChem CID61183221
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(dipropylcarbamoylamino)-5-methylbenzoic acid
SMILESCCCN(CCC)C(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-8-17(9-5-2)15(20)16-13-7-6-11(3)10-12(13)14(18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyQAGAKXLIJGYMHP-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61201776
2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62948763
5-methyl-2-(methylamino)-N,N-dipropylbenzamide
CID 55082842
5-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 115986547
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
CID 64520014
2-(butylamino)-5-methylbenzoic acid
CID 18802498
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
5-methyl-2-(3-methylpentan-3-ylcarbamoylamino)benzoic acid
CID 106330638
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylcarbamoylamino)-5-methylbenzoic acid?
The IUPAC name of 2-(dipropylcarbamoylamino)-5-methylbenzoic acid (CID 61183221) is 2-(dipropylcarbamoylamino)-5-methylbenzoic acid.
What is the SMILES notation for 2-(dipropylcarbamoylamino)-5-methylbenzoic acid?
The canonical SMILES for 2-(dipropylcarbamoylamino)-5-methylbenzoic acid is CCCN(CCC)C(=O)Nc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-(dipropylcarbamoylamino)-5-methylbenzoic acid?
The InChIKey is QAGAKXLIJGYMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-8-17(9-5-2)15(20)16-13-7-6-11(3)10-12(13)14(18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-(dipropylcarbamoylamino)-5-methylbenzoic acid?
2-(dipropylcarbamoylamino)-5-methylbenzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylcarbamoylamino)-5-methylbenzoic acid is sourced from PubChem (CID 61183221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).