3-(dipropylcarbamoyl)-5-formamidobenzoic acid

C15H20N2O4 — CID 87977943

IUPAC3-(dipropylcarbamoyl)-5-formamidobenzoic acid
SMILESCCCN(CCC)C(=O)c1cc(NC=O)cc(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-3-5-17(6-4-2)14(19)11-7-12(15(20)21)9-13(8-11)16-10-18/h7-10H,3-6H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyAMTRSIPAVSUHBQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.22
Rot. Bonds8

About 3-(dipropylcarbamoyl)-5-formamidobenzoic acid

3-(dipropylcarbamoyl)-5-formamidobenzoic acid (PubChem CID 87977943) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(dipropylcarbamoyl)-5-formamidobenzoic acid.

Molecular Properties

Compound Name3-(dipropylcarbamoyl)-5-formamidobenzoic acid
PubChem CID87977943
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(dipropylcarbamoyl)-5-formamidobenzoic acid
SMILESCCCN(CCC)C(=O)c1cc(NC=O)cc(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-3-5-17(6-4-2)14(19)11-7-12(15(20)21)9-13(8-11)16-10-18/h7-10H,3-6H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyAMTRSIPAVSUHBQ-UHFFFAOYSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,5-diformamidobenzoic acid
CID 88824919
3-(dipropylcarbamoyl)-5-(3-hydroxypropylsulfonyl)benzoic acid
CID 58802718
3-(dipropylcarbamoyl)-5-nitrobenzoic acid;methyl 3-(dipropylcarbamoyl)-5-nitrobenzoate
CID 87793429
5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142195355
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
3-(dipropylcarbamoyl)-5-(1,1,3-trioxo-1,2-thiazolidin-5-yl)benzoic acid
CID 147244608
3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
CID 21085789
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
3-hydroxy-5-methoxy-N,N-dipropylbenzamide
CID 101268290
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylcarbamoyl)-5-formamidobenzoic acid?
The IUPAC name of 3-(dipropylcarbamoyl)-5-formamidobenzoic acid (CID 87977943) is 3-(dipropylcarbamoyl)-5-formamidobenzoic acid.
What is the SMILES notation for 3-(dipropylcarbamoyl)-5-formamidobenzoic acid?
The canonical SMILES for 3-(dipropylcarbamoyl)-5-formamidobenzoic acid is CCCN(CCC)C(=O)c1cc(NC=O)cc(C(=O)O)c1.
What is the InChIKey of 3-(dipropylcarbamoyl)-5-formamidobenzoic acid?
The InChIKey is AMTRSIPAVSUHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-5-17(6-4-2)14(19)11-7-12(15(20)21)9-13(8-11)16-10-18/h7-10H,3-6H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 3-(dipropylcarbamoyl)-5-formamidobenzoic acid?
3-(dipropylcarbamoyl)-5-formamidobenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylcarbamoyl)-5-formamidobenzoic acid is sourced from PubChem (CID 87977943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).