3-(dipropylcarbamoyl)-4-methoxybenzoic acid

C15H21NO4 — CID 129054402

IUPAC3-(dipropylcarbamoyl)-4-methoxybenzoic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C15H21NO4/c1-4-8-16(9-5-2)14(17)12-10-11(15(18)19)6-7-13(12)20-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyIWYXJPRJFFQGKC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds7

About 3-(dipropylcarbamoyl)-4-methoxybenzoic acid

3-(dipropylcarbamoyl)-4-methoxybenzoic acid (PubChem CID 129054402) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(dipropylcarbamoyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(dipropylcarbamoyl)-4-methoxybenzoic acid
PubChem CID129054402
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(dipropylcarbamoyl)-4-methoxybenzoic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C15H21NO4/c1-4-8-16(9-5-2)14(17)12-10-11(15(18)19)6-7-13(12)20-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyIWYXJPRJFFQGKC-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
CID 1377997
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
CID 110416415
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405
3-(3-chloropropanoyl)-4-methoxybenzoic acid
CID 82052284
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
5-formyl-2-methoxy-N,N-dipentylbenzamide
CID 22716819
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
5,6-dimethoxy-N,N-dipropyl-1H-indole-3-carboxamide
CID 113206941

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylcarbamoyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(dipropylcarbamoyl)-4-methoxybenzoic acid (CID 129054402) is 3-(dipropylcarbamoyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(dipropylcarbamoyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(dipropylcarbamoyl)-4-methoxybenzoic acid is CCCN(CCC)C(=O)c1cc(C(=O)O)ccc1OC.
What is the InChIKey of 3-(dipropylcarbamoyl)-4-methoxybenzoic acid?
The InChIKey is IWYXJPRJFFQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-8-16(9-5-2)14(17)12-10-11(15(18)19)6-7-13(12)20-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-(dipropylcarbamoyl)-4-methoxybenzoic acid?
3-(dipropylcarbamoyl)-4-methoxybenzoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylcarbamoyl)-4-methoxybenzoic acid is sourced from PubChem (CID 129054402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).