10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C21H30N4O2 — CID 131647730

IUPAC10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(CC1CC1)CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C21H30N4O2/c1-2-24-15-21(12-19(24)26)14-23(13-17-8-9-17)10-11-25(16-21)20(27)22-18-6-4-3-5-7-18/h3-7,17H,2,8-16H2,1H3,(H,22,27)
InChIKeyNCKZCYKZJJOWNW-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.48
Rot. Bonds4

About 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 131647730) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID131647730
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(CC1CC1)CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C21H30N4O2/c1-2-24-15-21(12-19(24)26)14-23(13-17-8-9-17)10-11-25(16-21)20(27)22-18-6-4-3-5-7-18/h3-7,17H,2,8-16H2,1H3,(H,22,27)
InChIKeyNCKZCYKZJJOWNW-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-ethyl-3-oxo-N-phenyl-10-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360284
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 131638814
(5S)-2-ethyl-N-(3-methoxyphenyl)-10-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97385096
(5S)-2-methyl-7-(3-methylbutanoyl)-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 98634691
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070068
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482486
6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131645592

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 131647730) is 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1CC2(CC1=O)CN(CC1CC1)CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is NCKZCYKZJJOWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-2-24-15-21(12-19(24)26)14-23(13-17-8-9-17)10-11-25(16-21)20(27)22-18-6-4-3-5-7-18/h3-7,17H,2,8-16H2,1H3,(H,22,27).
What are the key properties of 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 131647730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).