N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide

C20H32N2O3 — CID 110444718

IUPACN-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCCCN2CCCCCC2)c1
InChIInChI=1S/C20H32N2O3/c1-24-18-14-17(15-19(16-18)25-2)20(23)21-10-6-5-9-13-22-11-7-3-4-8-12-22/h14-16H,3-13H2,1-2H3,(H,21,23)
InChIKeyQTMZJDLNDKPNET-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.48
Rot. Bonds9

About N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide

N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide (PubChem CID 110444718) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
PubChem CID110444718
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCCCN2CCCCCC2)c1
InChIInChI=1S/C20H32N2O3/c1-24-18-14-17(15-19(16-18)25-2)20(23)21-10-6-5-9-13-22-11-7-3-4-8-12-22/h14-16H,3-13H2,1-2H3,(H,21,23)
InChIKeyQTMZJDLNDKPNET-UHFFFAOYSA-N
XLogP3.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
CID 11702224
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
3,5-dimethoxy-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 110285157
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176302
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide (CID 110444718) is N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCCCCN2CCCCCC2)c1.
What is the InChIKey of N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide?
The InChIKey is QTMZJDLNDKPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-24-18-14-17(15-19(16-18)25-2)20(23)21-10-6-5-9-13-22-11-7-3-4-8-12-22/h14-16H,3-13H2,1-2H3,(H,21,23).
What are the key properties of N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide?
N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide has a molecular weight of 348.49 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110444718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).