N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide

C21H31NO2 — CID 42378699

IUPACN-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
SMILESCC(C)COc1cccc(CN(C(=O)C2CCCCC2)C2CC2)c1
InChIInChI=1S/C21H31NO2/c1-16(2)15-24-20-10-6-7-17(13-20)14-22(19-11-12-19)21(23)18-8-4-3-5-9-18/h6-7,10,13,16,18-19H,3-5,8-9,11-12,14-15H2,1-2H3
InChIKeyYCIAYVMNIWOLPR-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.79
Rot. Bonds7

About N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide

N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 42378699) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
PubChem CID42378699
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
SMILESCC(C)COc1cccc(CN(C(=O)C2CCCCC2)C2CC2)c1
InChIInChI=1S/C21H31NO2/c1-16(2)15-24-20-10-6-7-17(13-20)14-22(19-11-12-19)21(23)18-8-4-3-5-9-18/h6-7,10,13,16,18-19H,3-5,8-9,11-12,14-15H2,1-2H3
InChIKeyYCIAYVMNIWOLPR-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide
CID 42471181
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416
1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
[3-[[cyclopentanecarbonyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
CID 3668371
N-cyclopentyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropanamide
CID 42500679
(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 155496623
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
CID 113095892
N-(1-benzylpiperidin-1-ium-4-yl)-N-[(4-ethoxyphenyl)methyl]cyclohexanecarboxamide
CID 6961826
N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
CID 45220553
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide (CID 42378699) is N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide is CC(C)COc1cccc(CN(C(=O)C2CCCCC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is YCIAYVMNIWOLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-16(2)15-24-20-10-6-7-17(13-20)14-22(19-11-12-19)21(23)18-8-4-3-5-9-18/h6-7,10,13,16,18-19H,3-5,8-9,11-12,14-15H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide?
N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 329.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 42378699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).