5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide

C24H33N3O2 — CID 72938782

IUPAC5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCCN1CC(c2ccccc2)CC2(CCN(Cc3ccc(C(=O)NC)o3)CC2)C1
InChIInChI=1S/C24H33N3O2/c1-3-26-16-20(19-7-5-4-6-8-19)15-24(18-26)11-13-27(14-12-24)17-21-9-10-22(29-21)23(28)25-2/h4-10,20H,3,11-18H2,1-2H3,(H,25,28)
InChIKeyBQIPPBLYANFOHA-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.73
Rot. Bonds5

About 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide

5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 72938782) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide
PubChem CID72938782
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCCN1CC(c2ccccc2)CC2(CCN(Cc3ccc(C(=O)NC)o3)CC2)C1
InChIInChI=1S/C24H33N3O2/c1-3-26-16-20(19-7-5-4-6-8-19)15-24(18-26)11-13-27(14-12-24)17-21-9-10-22(29-21)23(28)25-2/h4-10,20H,3,11-18H2,1-2H3,(H,25,28)
InChIKeyBQIPPBLYANFOHA-UHFFFAOYSA-N
XLogP3.73
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-carboxamide
CID 72924876
5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole
CID 72921041
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide
CID 72891317
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97130354
(4R)-2-ethyl-9-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97454779
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
[2-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72859950
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97128654

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide (CID 72938782) is 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide is CCN1CC(c2ccccc2)CC2(CCN(Cc3ccc(C(=O)NC)o3)CC2)C1.
What is the InChIKey of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is BQIPPBLYANFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-26-16-20(19-7-5-4-6-8-19)15-24(18-26)11-13-27(14-12-24)17-21-9-10-22(29-21)23(28)25-2/h4-10,20H,3,11-18H2,1-2H3,(H,25,28).
What are the key properties of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide?
5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 72938782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).