5-(dimethylamino)-2-(pentanoylamino)benzoic acid

C14H20N2O3 — CID 50782826

IUPAC5-(dimethylamino)-2-(pentanoylamino)benzoic acid
SMILESCCCCC(=O)Nc1ccc(N(C)C)cc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-5-6-13(17)15-12-8-7-10(16(2)3)9-11(12)14(18)19/h7-9H,4-6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyATQOLKDIDJYPGV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.58
Rot. Bonds6

About 5-(dimethylamino)-2-(pentanoylamino)benzoic acid

5-(dimethylamino)-2-(pentanoylamino)benzoic acid (PubChem CID 50782826) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pentanoylamino)benzoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pentanoylamino)benzoic acid
PubChem CID50782826
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-(dimethylamino)-2-(pentanoylamino)benzoic acid
SMILESCCCCC(=O)Nc1ccc(N(C)C)cc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-5-6-13(17)15-12-8-7-10(16(2)3)9-11(12)14(18)19/h7-9H,4-6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyATQOLKDIDJYPGV-UHFFFAOYSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(methyl)amino]-2-(propanoylamino)benzoic acid
CID 50782828
5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
CID 50782899
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
CID 50782758
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
2-(hexacosanoylamino)benzoic acid
CID 123304158
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
5-chloro-2-[[(Z)-docos-13-enoyl]amino]benzoic acid
CID 70363049
2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid
CID 50781021
5-[butyl(methyl)amino]-2-(cyclopropanecarbonylamino)benzoic acid
CID 50782783
5-chloro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61197584

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pentanoylamino)benzoic acid?
The IUPAC name of 5-(dimethylamino)-2-(pentanoylamino)benzoic acid (CID 50782826) is 5-(dimethylamino)-2-(pentanoylamino)benzoic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(pentanoylamino)benzoic acid?
The canonical SMILES for 5-(dimethylamino)-2-(pentanoylamino)benzoic acid is CCCCC(=O)Nc1ccc(N(C)C)cc1C(=O)O.
What is the InChIKey of 5-(dimethylamino)-2-(pentanoylamino)benzoic acid?
The InChIKey is ATQOLKDIDJYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-5-6-13(17)15-12-8-7-10(16(2)3)9-11(12)14(18)19/h7-9H,4-6H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 5-(dimethylamino)-2-(pentanoylamino)benzoic acid?
5-(dimethylamino)-2-(pentanoylamino)benzoic acid has a molecular weight of 264.32 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 5-(dimethylamino)-2-(pentanoylamino)benzoic acid is sourced from PubChem (CID 50782826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).