N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

C17H25N3O — CID 56758247

IUPACN-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cccc(CNC(=O)N2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C17H25N3O/c1-14-4-2-5-15(10-14)11-19-16(21)20-9-7-17(13-20)6-3-8-18-12-17/h2,4-5,10,18H,3,6-9,11-13H2,1H3,(H,19,21)
InChIKeyNBCONIGZRWUSKR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.28
Rot. Bonds2

About N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 56758247) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID56758247
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cccc(CNC(=O)N2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C17H25N3O/c1-14-4-2-5-15(10-14)11-19-16(21)20-9-7-17(13-20)6-3-8-18-12-17/h2,4-5,10,18H,3,6-9,11-13H2,1H3,(H,19,21)
InChIKeyNBCONIGZRWUSKR-UHFFFAOYSA-N
XLogP2.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 56758247) is N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1cccc(CNC(=O)N2CCC3(CCCNC3)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is NBCONIGZRWUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-4-2-5-15(10-14)11-19-16(21)20-9-7-17(13-20)6-3-8-18-12-17/h2,4-5,10,18H,3,6-9,11-13H2,1H3,(H,19,21).
What are the key properties of N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 56758247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).