N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane

C27H43NO2 — CID 142209251

IUPACN-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane
SMILESCC.CCCC(=O)C1CCC(N(C)C(=O)CC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C25H37NO2.C2H6/c1-3-7-24(27)22-14-16-23(17-15-22)26(2)25(28)18-19-10-12-21(13-11-19)20-8-5-4-6-9-20;1-2/h4-6,8-9,19,21-23H,3,7,10-18H2,1-2H3;1-2H3
InChIKeyFPDGUZHJNOSIDA-UHFFFAOYSA-N
MW413.65 g/mol
LogP6.76
Rot. Bonds7

About N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane

N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane (PubChem CID 142209251) has the molecular formula C27H43NO2 and a molecular weight of 413.65 g/mol. Its IUPAC name is N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane.

Molecular Properties

Compound NameN-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane
PubChem CID142209251
Molecular FormulaC27H43NO2
Molecular Weight413.65 g/mol
Exact Mass413.33
IUPAC NameN-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane
SMILESCC.CCCC(=O)C1CCC(N(C)C(=O)CC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C25H37NO2.C2H6/c1-3-7-24(27)22-14-16-23(17-15-22)26(2)25(28)18-19-10-12-21(13-11-19)20-8-5-4-6-9-20;1-2/h4-6,8-9,19,21-23H,3,7,10-18H2,1-2H3;1-2H3
InChIKeyFPDGUZHJNOSIDA-UHFFFAOYSA-N
XLogP6.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
ethyl 4-oxo-4-(4-phenylcyclohexyl)butanoate
CID 174381996
N-methyl-2-(2-oxoazocan-1-yl)-N-(4-phenylcyclohexyl)acetamide
CID 55761544
1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
CID 101058020
N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide
CID 55588872
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
N-cyclopropyl-2-[(2-ethylphenyl)methylamino]-N-methylacetamide
CID 64680743
N-benzyl-2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetamide
CID 61488975
N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55774524
(4-propylcyclohexyl)benzene
CID 155887669
N-cyclopropyl-N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502533
N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55588261

Frequently Asked Questions

What is the IUPAC name of N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane?
The IUPAC name of N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane (CID 142209251) is N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane.
What is the SMILES notation for N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane?
The canonical SMILES for N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane is CC.CCCC(=O)C1CCC(N(C)C(=O)CC2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane?
The InChIKey is FPDGUZHJNOSIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2.C2H6/c1-3-7-24(27)22-14-16-23(17-15-22)26(2)25(28)18-19-10-12-21(13-11-19)20-8-5-4-6-9-20;1-2/h4-6,8-9,19,21-23H,3,7,10-18H2,1-2H3;1-2H3.
What are the key properties of N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane?
N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane has a molecular weight of 413.65 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butanoylcyclohexyl)-N-methyl-2-(4-phenylcyclohexyl)acetamide;ethane is sourced from PubChem (CID 142209251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).