N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide

C16H26N2O2 — CID 107201178

IUPACN-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C16H26N2O2/c1-3-11-17-15-9-7-14(8-10-15)16(20)18(2)12-5-4-6-13-19/h7-10,17,19H,3-6,11-13H2,1-2H3
InChIKeyPEXKIMKEGBXQPZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.74
Rot. Bonds9

About N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide

N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide (PubChem CID 107201178) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
PubChem CID107201178
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C16H26N2O2/c1-3-11-17-15-9-7-14(8-10-15)16(20)18(2)12-5-4-6-13-19/h7-10,17,19H,3-6,11-13H2,1-2H3
InChIKeyPEXKIMKEGBXQPZ-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.74
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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Related Compounds

N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915
N-methyl-N-(2-methylbutyl)-4-(propylamino)benzamide
CID 62170173
N-methyl-N-[3-(4-methylanilino)propyl]benzamide
CID 14872050
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide
CID 107377361
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
CID 107201918
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
1-[4-(propylamino)phenyl]ethanone
CID 7304598

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide (CID 107201178) is N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)N(C)CCCCCO)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide?
The InChIKey is PEXKIMKEGBXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-11-17-15-9-7-14(8-10-15)16(20)18(2)12-5-4-6-13-19/h7-10,17,19H,3-6,11-13H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide?
N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide is sourced from PubChem (CID 107201178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).