ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide

C29H42N2O2 — CID 142231315

IUPACethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCC.CCC1CCC(CNC(=O)Cc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C27H36N2O2.C2H6/c1-4-20-9-11-21(12-10-20)18-28-26(30)17-23-7-5-6-8-25(23)27(31)29-24-15-13-22(14-16-24)19(2)3;1-2/h5-8,13-16,19-21H,4,9-12,17-18H2,1-3H3,(H,28,30)(H,29,31);1-2H3
InChIKeyCTQYRFGHVFLEOY-UHFFFAOYSA-N
MW450.67 g/mol
LogP6.96
Rot. Bonds8

About ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide

ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 142231315) has the molecular formula C29H42N2O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Nameethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide
PubChem CID142231315
Molecular FormulaC29H42N2O2
Molecular Weight450.67 g/mol
Exact Mass450.32
IUPAC Nameethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide
SMILESCC.CCC1CCC(CNC(=O)Cc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C27H36N2O2.C2H6/c1-4-20-9-11-21(12-10-20)18-28-26(30)17-23-7-5-6-8-25(23)27(31)29-24-15-13-22(14-16-24)19(2)3;1-2/h5-8,13-16,19-21H,4,9-12,17-18H2,1-3H3,(H,28,30)(H,29,31);1-2H3
InChIKeyCTQYRFGHVFLEOY-UHFFFAOYSA-N
XLogP6.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887919
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylbenzamide
CID 62241479
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide
CID 26915377
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
2-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 131924834
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide (CID 142231315) is ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide is CC.CCC1CCC(CNC(=O)Cc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is CTQYRFGHVFLEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2.C2H6/c1-4-20-9-11-21(12-10-20)18-28-26(30)17-23-7-5-6-8-25(23)27(31)29-24-15-13-22(14-16-24)19(2)3;1-2/h5-8,13-16,19-21H,4,9-12,17-18H2,1-3H3,(H,28,30)(H,29,31);1-2H3.
What are the key properties of ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide?
ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 450.67 g/mol, XLogP of 6.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[(4-ethylcyclohexyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 142231315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).