N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide

C18H28N2O — CID 64751228

IUPACN-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13-4-6-16(7-5-13)18(21)20-9-8-19-17-11-14(2)10-15(3)12-17/h4-7,14-15,17,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyQTXDXHVUGMCSHG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.14
Rot. Bonds5

About N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide

N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide (PubChem CID 64751228) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
PubChem CID64751228
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13-4-6-16(7-5-13)18(21)20-9-8-19-17-11-14(2)10-15(3)12-17/h4-7,14-15,17,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyQTXDXHVUGMCSHG-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
CID 80560795
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 63714328
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide (CID 64751228) is N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is QTXDXHVUGMCSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-4-6-16(7-5-13)18(21)20-9-8-19-17-11-14(2)10-15(3)12-17/h4-7,14-15,17,19H,8-12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 64751228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).