4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide

C18H28N2O — CID 43683594

IUPAC4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)14-7-11-16(12-8-14)20-15-9-5-13(6-10-15)17(21)19-4/h5-6,9-10,14,16,20H,7-8,11-12H2,1-4H3,(H,19,21)
InChIKeyLFYFGKRHDXVTLF-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds3

About 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide

4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide (PubChem CID 43683594) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
PubChem CID43683594
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)14-7-11-16(12-8-14)20-15-9-5-13(6-10-15)17(21)19-4/h5-6,9-10,14,16,20H,7-8,11-12H2,1-4H3,(H,19,21)
InChIKeyLFYFGKRHDXVTLF-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
CID 61237684
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
4-(cyclopropylamino)benzamide
CID 103605968
methyl 4-[(4-tert-butylcyclohexyl)carbamoylamino]benzoate
CID 17217886

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide (CID 43683594) is 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide?
The InChIKey is LFYFGKRHDXVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)14-7-11-16(12-8-14)20-15-9-5-13(6-10-15)17(21)19-4/h5-6,9-10,14,16,20H,7-8,11-12H2,1-4H3,(H,19,21).
What are the key properties of 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide?
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide is sourced from PubChem (CID 43683594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).