N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide

C20H36N2O — CID 140567953

IUPACN-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide
SMILESCC1CCC(CNC(=O)CC2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C20H36N2O/c1-16-4-6-18(7-5-16)15-21-20(23)14-17-8-10-19(11-9-17)22-12-2-3-13-22/h16-19H,2-15H2,1H3,(H,21,23)
InChIKeyKTWHEBBUQULLMO-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.97
Rot. Bonds5

About N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide

N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide (PubChem CID 140567953) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide
PubChem CID140567953
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC NameN-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide
SMILESCC1CCC(CNC(=O)CC2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C20H36N2O/c1-16-4-6-18(7-5-16)15-21-20(23)14-17-8-10-19(11-9-17)22-12-2-3-13-22/h16-19H,2-15H2,1H3,(H,21,23)
InChIKeyKTWHEBBUQULLMO-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Proline scaffold, 34
CID 42618131
(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 44353259
Cyclohexanecarboxamide, 4-(cyclohexylmethyl)-N-butyl-
CID 299686
N-(1-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-methyl-1-oxobutan-2-yl)-4-methylcyclohexanecarboxamide
CID 3240291
N-((1-isopropylpiperidin-4-yl)methyl)cyclohexanecarboxamide
CID 16895432
cyclo[DL-Cha-D-Leu-DL-Chg-Leu-D-Pro-D-Leu]
CID 168273989
1-(2-amino-2-cyclohexylacetyl)-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 49822959
3-cyclohexyl-N-(1-propylpiperidin-4-yl)propanamide
CID 17250115
3-Methyl-N-(4-methylcyclohexyl)-2-[(4-methylcyclohexyl)formamido]butanamide
CID 6621257
4-butyl-N-{[1-(dimethylamino)cyclohexyl]methyl}cyclohexanecarboxamide
CID 16455830
N-[(1-cyclopentylpiperidin-4-yl)methyl]cyclohexanecarboxamide
CID 16895616
Rel-(9AR,13AS)-1-(cyclohexylacetyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201219

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide (CID 140567953) is N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide is CC1CCC(CNC(=O)CC2CCC(N3CCCC3)CC2)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide?
The InChIKey is KTWHEBBUQULLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-16-4-6-18(7-5-16)15-21-20(23)14-17-8-10-19(11-9-17)22-12-2-3-13-22/h16-19H,2-15H2,1H3,(H,21,23).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide?
N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide has a molecular weight of 320.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-2-(4-pyrrolidin-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 140567953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).