N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide

C18H28N2O — CID 43681991

IUPACN,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide
SMILESCC1CC(Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-13-10-16(12-18(2,3)11-13)19-15-8-6-14(7-9-15)17(21)20(4)5/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyOWGBBVQEQROHQE-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.02
Rot. Bonds3

About N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide

N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide (PubChem CID 43681991) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide
PubChem CID43681991
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide
SMILESCC1CC(Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-13-10-16(12-18(2,3)11-13)19-15-8-6-14(7-9-15)17(21)20(4)5/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyOWGBBVQEQROHQE-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43724151
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
N,N-dimethyl-4-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81302611
methyl 2-chloro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43672724
4-pyrrolidin-1-yl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43732195
N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43097568
N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43739606
ethyl 3-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321933
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
methyl 4-amino-3-[[(1R,5S)-3,3,5-trimethylcyclohexyl]amino]benzoate
CID 130363778
4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63456101
4-chloro-3-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43721505

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide (CID 43681991) is N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide is CC1CC(Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1.
What is the InChIKey of N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide?
The InChIKey is OWGBBVQEQROHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-10-16(12-18(2,3)11-13)19-15-8-6-14(7-9-15)17(21)20(4)5/h6-9,13,16,19H,10-12H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide?
N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3,3,5-trimethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43681991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).