7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

C19H27N5O4 — CID 131654402

IUPAC7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)N(C)C)CC3(CNC(=O)C3)C2)c1
InChIInChI=1S/C19H27N5O4/c1-22(2)18(27)24-8-7-23(12-19(13-24)10-16(25)20-11-19)17(26)21-14-5-4-6-15(9-14)28-3/h4-6,9H,7-8,10-13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyKJQBYTFTNIDNSG-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.03
Rot. Bonds2

About 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (PubChem CID 131654402) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.

Molecular Properties

Compound Name7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
PubChem CID131654402
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)N(C)C)CC3(CNC(=O)C3)C2)c1
InChIInChI=1S/C19H27N5O4/c1-22(2)18(27)24-8-7-23(12-19(13-24)10-16(25)20-11-19)17(26)21-14-5-4-6-15(9-14)28-3/h4-6,9H,7-8,10-13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyKJQBYTFTNIDNSG-UHFFFAOYSA-N
XLogP1.03
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide with MolForge

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Related Compounds

(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438924
(5S)-7-N-[(3-methoxyphenyl)methyl]-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438931
(5S)-2-ethyl-N-(3-methoxyphenyl)-10-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97385096
(5S)-7-(3-chlorobenzoyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438915
(5S)-7-[2-(3-methoxyphenyl)acetyl]-10-(2-methylpropanoyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97438896
N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490453
N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131639855
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561

Frequently Asked Questions

What is the IUPAC name of 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The IUPAC name of 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (CID 131654402) is 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.
What is the SMILES notation for 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The canonical SMILES for 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is COc1cccc(NC(=O)N2CCN(C(=O)N(C)C)CC3(CNC(=O)C3)C2)c1.
What is the InChIKey of 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The InChIKey is KJQBYTFTNIDNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-22(2)18(27)24-8-7-23(12-19(13-24)10-16(25)20-11-19)17(26)21-14-5-4-6-15(9-14)28-3/h4-6,9H,7-8,10-13H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is sourced from PubChem (CID 131654402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).