N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H28N2O — CID 106981352

IUPACN-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C15H28N2O/c1-11(2)15(8-9-16-10-15)14(18)17-13-6-4-12(3)5-7-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyVXQFSOOEEGSTDS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.32
Rot. Bonds3

About N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981352) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981352
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2(C(C)C)CCNC2)CC1
InChIInChI=1S/C15H28N2O/c1-11(2)15(8-9-16-10-15)14(18)17-13-6-4-12(3)5-7-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyVXQFSOOEEGSTDS-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 106979930
N-cyclopropyl-4-methyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 130472552
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980679
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
N-cyclopropyl-1-propan-2-ylcyclopropane-1-carboxamide
CID 130695235
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114178691
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981352) is N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC1CCC(NC(=O)C2(C(C)C)CCNC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VXQFSOOEEGSTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)15(8-9-16-10-15)14(18)17-13-6-4-12(3)5-7-13/h11-13,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).