2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide

C21H32N2O3 — CID 154793809

IUPAC2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide
SMILESO=C(NC1CCC2(CCOCC2)CC1)N1CCCCCC1c1ccco1
InChIInChI=1S/C21H32N2O3/c24-20(22-17-7-9-21(10-8-17)11-15-25-16-12-21)23-13-3-1-2-5-18(23)19-6-4-14-26-19/h4,6,14,17-18H,1-3,5,7-13,15-16H2,(H,22,24)
InChIKeyQEPOZJWQUPQKTR-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.65
Rot. Bonds2

About 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide

2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide (PubChem CID 154793809) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide
PubChem CID154793809
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide
SMILESO=C(NC1CCC2(CCOCC2)CC1)N1CCCCCC1c1ccco1
InChIInChI=1S/C21H32N2O3/c24-20(22-17-7-9-21(10-8-17)11-15-25-16-12-21)23-13-3-1-2-5-18(23)19-6-4-14-26-19/h4,6,14,17-18H,1-3,5,7-13,15-16H2,(H,22,24)
InChIKeyQEPOZJWQUPQKTR-UHFFFAOYSA-N
XLogP4.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
(2S)-2-(furan-2-yl)-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]azepane-1-carboxamide
CID 96563066
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 71930413
(2S)-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 97078797
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide
CID 100665143
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
CID 71868116
[2-(furan-2-yl)azepan-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 91842248
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
(2R)-N-(2-bromophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 92500060
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide
CID 167944450

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide (CID 154793809) is 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide is O=C(NC1CCC2(CCOCC2)CC1)N1CCCCCC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide?
The InChIKey is QEPOZJWQUPQKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-20(22-17-7-9-21(10-8-17)11-15-25-16-12-21)23-13-3-1-2-5-18(23)19-6-4-14-26-19/h4,6,14,17-18H,1-3,5,7-13,15-16H2,(H,22,24).
What are the key properties of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide?
2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide is sourced from PubChem (CID 154793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).