4-(6-aminohexanoylamino)benzamide

C13H19N3O2 — CID 24702559

IUPAC4-(6-aminohexanoylamino)benzamide
SMILESNCCCCCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c14-9-3-1-2-4-12(17)16-11-7-5-10(6-8-11)13(15)18/h5-8H,1-4,9,14H2,(H2,15,18)(H,16,17)
InChIKeyRBSXAPNTWHCFBA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.24
Rot. Bonds7

About 4-(6-aminohexanoylamino)benzamide

4-(6-aminohexanoylamino)benzamide (PubChem CID 24702559) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(6-aminohexanoylamino)benzamide.

Molecular Properties

Compound Name4-(6-aminohexanoylamino)benzamide
PubChem CID24702559
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(6-aminohexanoylamino)benzamide
SMILESNCCCCCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c14-9-3-1-2-4-12(17)16-11-7-5-10(6-8-11)13(15)18/h5-8H,1-4,9,14H2,(H2,15,18)(H,16,17)
InChIKeyRBSXAPNTWHCFBA-UHFFFAOYSA-N
XLogP1.24
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
4-(4-hydroxybutanoylamino)benzamide
CID 79203349
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
CID 61273837

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexanoylamino)benzamide?
The IUPAC name of 4-(6-aminohexanoylamino)benzamide (CID 24702559) is 4-(6-aminohexanoylamino)benzamide.
What is the SMILES notation for 4-(6-aminohexanoylamino)benzamide?
The canonical SMILES for 4-(6-aminohexanoylamino)benzamide is NCCCCCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(6-aminohexanoylamino)benzamide?
The InChIKey is RBSXAPNTWHCFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-9-3-1-2-4-12(17)16-11-7-5-10(6-8-11)13(15)18/h5-8H,1-4,9,14H2,(H2,15,18)(H,16,17).
What are the key properties of 4-(6-aminohexanoylamino)benzamide?
4-(6-aminohexanoylamino)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexanoylamino)benzamide is sourced from PubChem (CID 24702559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).