7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid

C16H24N2O3 — CID 10541690

IUPAC7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-18(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(19)20/h8-11H,3-7,12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySVOIFRAJCJNFJO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.52
Rot. Bonds9

About 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid

7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid (PubChem CID 10541690) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid
PubChem CID10541690
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-18(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(19)20/h8-11H,3-7,12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySVOIFRAJCJNFJO-UHFFFAOYSA-N
XLogP2.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid?
The IUPAC name of 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid (CID 10541690) is 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid is CN(C)c1ccc(C(=O)NCCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid?
The InChIKey is SVOIFRAJCJNFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(19)20/h8-11H,3-7,12H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid?
7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(dimethylamino)benzoyl]amino]heptanoic acid is sourced from PubChem (CID 10541690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).