N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide

C25H33NO — CID 42702953

IUPACN-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C25H33NO/c1-19-10-8-9-13-23(19)24(27)26(22-11-6-5-7-12-22)18-20-14-16-21(17-15-20)25(2,3)4/h8-10,13-17,22H,5-7,11-12,18H2,1-4H3
InChIKeyDKFLIUNLAGDORR-UHFFFAOYSA-N
MW363.55 g/mol
LogP6.27
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide

N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide (PubChem CID 42702953) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
PubChem CID42702953
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C25H33NO/c1-19-10-8-9-13-23(19)24(27)26(22-11-6-5-7-12-22)18-20-14-16-21(17-15-20)25(2,3)4/h8-10,13-17,22H,5-7,11-12,18H2,1-4H3
InChIKeyDKFLIUNLAGDORR-UHFFFAOYSA-N
XLogP6.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 35042984
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46052325
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-cyclohexyl-2-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3394372
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
CID 39360756
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide (CID 42702953) is N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide is Cc1ccccc1C(=O)N(Cc1ccc(C(C)(C)C)cc1)C1CCCCC1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide?
The InChIKey is DKFLIUNLAGDORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-19-10-8-9-13-23(19)24(27)26(22-11-6-5-7-12-22)18-20-14-16-21(17-15-20)25(2,3)4/h8-10,13-17,22H,5-7,11-12,18H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide?
N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide has a molecular weight of 363.55 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide is sourced from PubChem (CID 42702953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).