N,N-dimethyl-4-(octanoylamino)benzamide

C17H26N2O2 — CID 17231205

IUPACN,N-dimethyl-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-7-8-9-16(20)18-15-12-10-14(11-13-15)17(21)19(2)3/h10-13H,4-9H2,1-3H3,(H,18,20)
InChIKeyJWILQWWRIRWCBS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.69
Rot. Bonds8

About N,N-dimethyl-4-(octanoylamino)benzamide

N,N-dimethyl-4-(octanoylamino)benzamide (PubChem CID 17231205) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(octanoylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(octanoylamino)benzamide
PubChem CID17231205
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,N-dimethyl-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-7-8-9-16(20)18-15-12-10-14(11-13-15)17(21)19(2)3/h10-13H,4-9H2,1-3H3,(H,18,20)
InChIKeyJWILQWWRIRWCBS-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(heptanoylcarbamothioylamino)-N,N-dimethylbenzamide
CID 54788949
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide
CID 3647584
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-(4-chlorophenyl)tridecanamide
CID 4195215

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(octanoylamino)benzamide?
The IUPAC name of N,N-dimethyl-4-(octanoylamino)benzamide (CID 17231205) is N,N-dimethyl-4-(octanoylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(octanoylamino)benzamide?
The canonical SMILES for N,N-dimethyl-4-(octanoylamino)benzamide is CCCCCCCC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(octanoylamino)benzamide?
The InChIKey is JWILQWWRIRWCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-6-7-8-9-16(20)18-15-12-10-14(11-13-15)17(21)19(2)3/h10-13H,4-9H2,1-3H3,(H,18,20).
What are the key properties of N,N-dimethyl-4-(octanoylamino)benzamide?
N,N-dimethyl-4-(octanoylamino)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(octanoylamino)benzamide is sourced from PubChem (CID 17231205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).