N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide

C14H22N2O2 — CID 64563044

IUPACN-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)C1CCCCCN1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-12-7-6-10-18-12)14(17)13-8-4-3-5-9-15-13/h6-7,10,13,15H,2-5,8-9,11H2,1H3
InChIKeyCIELJKIGVDTZAM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide

N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide (PubChem CID 64563044) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide
PubChem CID64563044
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)C1CCCCCN1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-12-7-6-10-18-12)14(17)13-8-4-3-5-9-15-13/h6-7,10,13,15H,2-5,8-9,11H2,1H3
InChIKeyCIELJKIGVDTZAM-UHFFFAOYSA-N
XLogP2.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N,N-bis(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61164821
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60938376
(2R)-N-cyclopentyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 104913327
(2S)-N-cyclopropyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 93369487
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894894
(3R)-N-ethyl-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61164515
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide (CID 64563044) is N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide is CCN(Cc1ccco1)C(=O)C1CCCCCN1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide?
The InChIKey is CIELJKIGVDTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16(11-12-7-6-10-18-12)14(17)13-8-4-3-5-9-15-13/h6-7,10,13,15H,2-5,8-9,11H2,1H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide?
N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 64563044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).