3-(heptanoylamino)benzamide

C14H20N2O2 — CID 54789184

IUPAC3-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-5-9-13(17)16-12-8-6-7-11(10-12)14(15)18/h6-8,10H,2-5,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyZJYCOGRUOPDCTD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.69
Rot. Bonds7

About 3-(heptanoylamino)benzamide

3-(heptanoylamino)benzamide (PubChem CID 54789184) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(heptanoylamino)benzamide.

Molecular Properties

Compound Name3-(heptanoylamino)benzamide
PubChem CID54789184
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-5-9-13(17)16-12-8-6-7-11(10-12)14(15)18/h6-8,10H,2-5,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyZJYCOGRUOPDCTD-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(decanoylamino)benzoate
CID 142485980
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-(3-bromophenyl)heptanamide
CID 4596383
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-ethylphenyl)decanamide
CID 4053743
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of 3-(heptanoylamino)benzamide?
The IUPAC name of 3-(heptanoylamino)benzamide (CID 54789184) is 3-(heptanoylamino)benzamide.
What is the SMILES notation for 3-(heptanoylamino)benzamide?
The canonical SMILES for 3-(heptanoylamino)benzamide is CCCCCCC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(heptanoylamino)benzamide?
The InChIKey is ZJYCOGRUOPDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-4-5-9-13(17)16-12-8-6-7-11(10-12)14(15)18/h6-8,10H,2-5,9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 3-(heptanoylamino)benzamide?
3-(heptanoylamino)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptanoylamino)benzamide is sourced from PubChem (CID 54789184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).