N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide

C22H33N3O — CID 170787302

IUPACN-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESCc1ccccc1CN1CC2(C1)CN(C(=O)N(C)CC1CCCCC1)C2
InChIInChI=1S/C22H33N3O/c1-18-8-6-7-11-20(18)13-24-14-22(15-24)16-25(17-22)21(26)23(2)12-19-9-4-3-5-10-19/h6-8,11,19H,3-5,9-10,12-17H2,1-2H3
InChIKeySWYHNDVSTOPDIY-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.74
Rot. Bonds4

About N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide

N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide (PubChem CID 170787302) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
PubChem CID170787302
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESCc1ccccc1CN1CC2(C1)CN(C(=O)N(C)CC1CCCCC1)C2
InChIInChI=1S/C22H33N3O/c1-18-8-6-7-11-20(18)13-24-14-22(15-24)16-25(17-22)21(26)23(2)12-19-9-4-3-5-10-19/h6-8,11,19H,3-5,9-10,12-17H2,1-2H3
InChIKeySWYHNDVSTOPDIY-UHFFFAOYSA-N
XLogP3.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide (CID 170787302) is N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide is Cc1ccccc1CN1CC2(C1)CN(C(=O)N(C)CC1CCCCC1)C2.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The InChIKey is SWYHNDVSTOPDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-18-8-6-7-11-20(18)13-24-14-22(15-24)16-25(17-22)21(26)23(2)12-19-9-4-3-5-10-19/h6-8,11,19H,3-5,9-10,12-17H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-6-[(2-methylphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 170787302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).