N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide

C17H26N2O — CID 43734886

IUPACN-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC2CCC(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-4-18-17(20)14-8-7-13(3)16(11-14)19-15-9-5-12(2)6-10-15/h7-8,11-12,15,19H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyZIBRCZKFVDGQHS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.74
Rot. Bonds4

About N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide

N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide (PubChem CID 43734886) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
PubChem CID43734886
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC2CCC(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-4-18-17(20)14-8-7-13(3)16(11-14)19-15-9-5-12(2)6-10-15/h7-8,11-12,15,19H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyZIBRCZKFVDGQHS-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
CID 65080069
3-[(1,1-dioxothian-4-yl)amino]-N-ethyl-4-methylbenzamide
CID 43734956
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
The IUPAC name of N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide (CID 43734886) is N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide is CCNC(=O)c1ccc(C)c(NC2CCC(C)CC2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
The InChIKey is ZIBRCZKFVDGQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-18-17(20)14-8-7-13(3)16(11-14)19-15-9-5-12(2)6-10-15/h7-8,11-12,15,19H,4-6,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide?
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43734886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).