2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C28H36N4O3 — CID 25066663

IUPAC2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCNC(=O)N1CCC2(CC1)C(=O)N(CCc1ccc(OC)cc1)C(c1ccc(C3CC3)cc1)N2C
InChIInChI=1S/C28H36N4O3/c1-29-27(34)31-18-15-28(16-19-31)26(33)32(17-14-20-4-12-24(35-3)13-5-20)25(30(28)2)23-10-8-22(9-11-23)21-6-7-21/h4-5,8-13,21,25H,6-7,14-19H2,1-3H3,(H,29,34)
InChIKeyCDHRBZHWXIKVPM-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.76
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 25066663) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID25066663
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCNC(=O)N1CCC2(CC1)C(=O)N(CCc1ccc(OC)cc1)C(c1ccc(C3CC3)cc1)N2C
InChIInChI=1S/C28H36N4O3/c1-29-27(34)31-18-15-28(16-19-31)26(33)32(17-14-20-4-12-24(35-3)13-5-20)25(30(28)2)23-10-8-22(9-11-23)21-6-7-21/h4-5,8-13,21,25H,6-7,14-19H2,1-3H3,(H,29,34)
InChIKeyCDHRBZHWXIKVPM-UHFFFAOYSA-N
XLogP3.76
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 68868109
8-(cyclopentanecarbonyl)-2-[4-(difluoromethoxy)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25065836
tert-butyl 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-[4-(2-methylpropyl)phenyl]-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 25066051
tert-butyl (2R)-1-methyl-3-[2-(4-methylphenyl)ethyl]-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 143600030
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 155922035
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807
(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110908412
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 25066663) is 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CNC(=O)N1CCC2(CC1)C(=O)N(CCc1ccc(OC)cc1)C(c1ccc(C3CC3)cc1)N2C.
What is the InChIKey of 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is CDHRBZHWXIKVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-29-27(34)31-18-15-28(16-19-31)26(33)32(17-14-20-4-12-24(35-3)13-5-20)25(30(28)2)23-10-8-22(9-11-23)21-6-7-21/h4-5,8-13,21,25H,6-7,14-19H2,1-3H3,(H,29,34).
What are the key properties of 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 25066663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).