2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

C19H25N3O2 — CID 97472874

IUPAC2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)CN(CC2CC2)C3=O)c1
InChIInChI=1S/C19H25N3O2/c1-14-3-2-4-16(11-14)20-18(24)21-9-7-19(8-10-21)13-22(17(19)23)12-15-5-6-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,20,24)
InChIKeyFIWBHBJDMRAWCZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.86
Rot. Bonds3

About 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 97472874) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID97472874
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)CN(CC2CC2)C3=O)c1
InChIInChI=1S/C19H25N3O2/c1-14-3-2-4-16(11-14)20-18(24)21-9-7-19(8-10-21)13-22(17(19)23)12-15-5-6-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,20,24)
InChIKeyFIWBHBJDMRAWCZ-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472859
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482486
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 155900887
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 97472874) is 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC2)CN(CC2CC2)C3=O)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is FIWBHBJDMRAWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-3-2-4-16(11-14)20-18(24)21-9-7-19(8-10-21)13-22(17(19)23)12-15-5-6-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,20,24).
What are the key properties of 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 97472874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).