4-acetyl-N-(6-oxoheptyl)benzamide

C16H21NO3 — CID 59029593

IUPAC4-acetyl-N-(6-oxoheptyl)benzamide
SMILESCC(=O)CCCCCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H21NO3/c1-12(18)6-4-3-5-11-17-16(20)15-9-7-14(8-10-15)13(2)19/h7-10H,3-6,11H2,1-2H3,(H,17,20)
InChIKeyNQKLKSMTVJWTCW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.77
Rot. Bonds8

About 4-acetyl-N-(6-oxoheptyl)benzamide

4-acetyl-N-(6-oxoheptyl)benzamide (PubChem CID 59029593) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-acetyl-N-(6-oxoheptyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(6-oxoheptyl)benzamide
PubChem CID59029593
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-acetyl-N-(6-oxoheptyl)benzamide
SMILESCC(=O)CCCCCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H21NO3/c1-12(18)6-4-3-5-11-17-16(20)15-9-7-14(8-10-15)13(2)19/h7-10H,3-6,11H2,1-2H3,(H,17,20)
InChIKeyNQKLKSMTVJWTCW-UHFFFAOYSA-N
XLogP2.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
4-N-[13-(methylamino)-6-oxotridecyl]-1-N-(6-oxoheptyl)benzene-1,4-dicarboxamide
CID 153153765
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
3-[(4-acetylbenzoyl)amino]propylcarbamic acid
CID 130234189
N-(4-oxopentyl)benzamide
CID 10798281
1-O-(2-methoxyethyl) 4-O-[2-[6-[[4-(6-oxoheptylcarbamoyl)benzoyl]amino]hexanoyloxy]ethyl] benzene-1,4-dicarboxylate
CID 118545646
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
N-(4-acetylphenyl)-5-aminopentanamide;3-amino-N-(7-oxooctyl)benzamide
CID 91040807

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(6-oxoheptyl)benzamide?
The IUPAC name of 4-acetyl-N-(6-oxoheptyl)benzamide (CID 59029593) is 4-acetyl-N-(6-oxoheptyl)benzamide.
What is the SMILES notation for 4-acetyl-N-(6-oxoheptyl)benzamide?
The canonical SMILES for 4-acetyl-N-(6-oxoheptyl)benzamide is CC(=O)CCCCCNC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(6-oxoheptyl)benzamide?
The InChIKey is NQKLKSMTVJWTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)6-4-3-5-11-17-16(20)15-9-7-14(8-10-15)13(2)19/h7-10H,3-6,11H2,1-2H3,(H,17,20).
What are the key properties of 4-acetyl-N-(6-oxoheptyl)benzamide?
4-acetyl-N-(6-oxoheptyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(6-oxoheptyl)benzamide is sourced from PubChem (CID 59029593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).