N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide

C21H24N2O4 — CID 155871713

IUPACN-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC3(COCCC3NC(=O)c3ccccc3)C2)o1
InChIInChI=1S/C21H24N2O4/c1-15-7-8-17(27-15)20(25)23-11-10-21(13-23)14-26-12-9-18(21)22-19(24)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,22,24)
InChIKeyIXQKWRBHDGBUOF-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.64
Rot. Bonds3

About N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide

N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide (PubChem CID 155871713) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
PubChem CID155871713
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
SMILESCc1ccc(C(=O)N2CCC3(COCCC3NC(=O)c3ccccc3)C2)o1
InChIInChI=1S/C21H24N2O4/c1-15-7-8-17(27-15)20(25)23-11-10-21(13-23)14-26-12-9-18(21)22-19(24)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,22,24)
InChIKeyIXQKWRBHDGBUOF-UHFFFAOYSA-N
XLogP2.64
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923
N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 131662078
(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472086
(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743875
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265
N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
CID 97486654
(5-methylfuran-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155874195
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
CID 97374851
N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide
CID 97483798
(5-methylfuran-2-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477842
[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 97379498

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide?
The IUPAC name of N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide (CID 155871713) is N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide?
The canonical SMILES for N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide is Cc1ccc(C(=O)N2CCC3(COCCC3NC(=O)c3ccccc3)C2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide?
The InChIKey is IXQKWRBHDGBUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-7-8-17(27-15)20(25)23-11-10-21(13-23)14-26-12-9-18(21)22-19(24)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide?
N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide is sourced from PubChem (CID 155871713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).