N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide

C17H24N2O4 — CID 26500774

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H24N2O4/c1-22-14-9-13(10-15(11-14)23-2)17(21)18-12-16(20)19-7-5-3-4-6-8-19/h9-11H,3-8,12H2,1-2H3,(H,18,21)
InChIKeyFCXATKIYTKQETL-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide

N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide (PubChem CID 26500774) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
PubChem CID26500774
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H24N2O4/c1-22-14-9-13(10-15(11-14)23-2)17(21)18-12-16(20)19-7-5-3-4-6-8-19/h9-11H,3-8,12H2,1-2H3,(H,18,21)
InChIKeyFCXATKIYTKQETL-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
3,5-dimethoxy-N-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl]benzamide
CID 18226344
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 9082532
3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18111092
3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 34767039
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
3,5-dimethoxy-N-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 41247421
3,5-dimethoxy-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]benzamide
CID 2999114
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide (CID 26500774) is N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide?
The InChIKey is FCXATKIYTKQETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-14-9-13(10-15(11-14)23-2)17(21)18-12-16(20)19-7-5-3-4-6-8-19/h9-11H,3-8,12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide has a molecular weight of 320.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 26500774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).