N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide

C15H28N2O2 — CID 65120412

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)4-6-15(19,7-5-13)11-17-12(18)14(3)8-9-16-10-14/h16,19H,4-11H2,1-3H3,(H,17,18)
InChIKeyXQIQPLVHRNLPMG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.43
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 65120412) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID65120412
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)4-6-15(19,7-5-13)11-17-12(18)14(3)8-9-16-10-14/h16,19H,4-11H2,1-3H3,(H,17,18)
InChIKeyXQIQPLVHRNLPMG-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65106035
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65119734
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65120329
4,4,4-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65711568
3-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide
CID 61884357
N-[3-[(1-hydroxycyclohexyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 64865915
3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64868942
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 64868947
N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide
CID 64869166
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64869169
N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 65105975
N-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 65106034

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide (CID 65120412) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide is CC1(C)CCC(O)(CNC(=O)C2(C)CCNC2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is XQIQPLVHRNLPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)4-6-15(19,7-5-13)11-17-12(18)14(3)8-9-16-10-14/h16,19H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 65120412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).