N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide

C20H26N2O3 — CID 112503347

IUPACN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2ccco2)N2CCCCCC2)c1
InChIInChI=1S/C20H26N2O3/c1-24-17-9-6-8-16(14-17)20(23)21-15-18(19-10-7-13-25-19)22-11-4-2-3-5-12-22/h6-10,13-14,18H,2-5,11-12,15H2,1H3,(H,21,23)
InChIKeyNGTAKBIJQVXJPW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide (PubChem CID 112503347) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
PubChem CID112503347
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2ccco2)N2CCCCCC2)c1
InChIInChI=1S/C20H26N2O3/c1-24-17-9-6-8-16(14-17)20(23)21-15-18(19-10-7-13-25-19)22-11-4-2-3-5-12-22/h6-10,13-14,18H,2-5,11-12,15H2,1H3,(H,21,23)
InChIKeyNGTAKBIJQVXJPW-UHFFFAOYSA-N
XLogP3.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 45133052
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51162669
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 16810004
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 24982269
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35691476
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 18161468

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide (CID 112503347) is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(c2ccco2)N2CCCCCC2)c1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
The InChIKey is NGTAKBIJQVXJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-17-9-6-8-16(14-17)20(23)21-15-18(19-10-7-13-25-19)22-11-4-2-3-5-12-22/h6-10,13-14,18H,2-5,11-12,15H2,1H3,(H,21,23).
What are the key properties of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.64, 6 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-(furan-2-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 112503347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).