N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide

C19H30N2O — CID 91455018

IUPACN-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(Cc2cccc(C)c2)(N(C)C)CC1
InChIInChI=1S/C19H30N2O/c1-5-18(22)20-17-9-11-19(12-10-17,21(3)4)14-16-8-6-7-15(2)13-16/h6-8,13,17H,5,9-12,14H2,1-4H3,(H,20,22)
InChIKeyFKORRTJQXSOCIT-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.31
Rot. Bonds5

About N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide

N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide (PubChem CID 91455018) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
PubChem CID91455018
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(Cc2cccc(C)c2)(N(C)C)CC1
InChIInChI=1S/C19H30N2O/c1-5-18(22)20-17-9-11-19(12-10-17,21(3)4)14-16-8-6-7-15(2)13-16/h6-8,13,17H,5,9-12,14H2,1-4H3,(H,20,22)
InChIKeyFKORRTJQXSOCIT-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11676011
N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[(4-methoxyphenyl)methyl]butanediamide
CID 11634099
4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
CID 11555185
ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 142809981
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
CID 66621500
(5-methyl-2-phenyltriazol-4-yl) N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]carbamate
CID 91304802
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide
CID 68902207
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide?
The IUPAC name of N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide (CID 91455018) is N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide?
The canonical SMILES for N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide is CCC(=O)NC1CCC(Cc2cccc(C)c2)(N(C)C)CC1.
What is the InChIKey of N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide?
The InChIKey is FKORRTJQXSOCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-18(22)20-17-9-11-19(12-10-17,21(3)4)14-16-8-6-7-15(2)13-16/h6-8,13,17H,5,9-12,14H2,1-4H3,(H,20,22).
What are the key properties of N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide?
N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide has a molecular weight of 302.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide is sourced from PubChem (CID 91455018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).