ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane

C41H71NO3 — CID 143384491

IUPACethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane
SMILESCC.CCC.COc1ccc(CCNC(=O)C23CCCC2C2CCC(C)C(C)(CCC4C(C)CCC(O)C4(C)C)C2CC3)cc1
InChIInChI=1S/C36H57NO3.C3H8.C2H6/c1-24-9-16-32(38)34(3,4)29(24)17-21-35(5)25(2)10-15-28-30(35)18-22-36(20-7-8-31(28)36)33(39)37-23-19-26-11-13-27(40-6)14-12-26;1-3-2;1-2/h11-14,24-25,28-32,38H,7-10,15-23H2,1-6H3,(H,37,39);3H2,1-2H3;1-2H3
InChIKeyLJLQJAPGHUCFQV-UHFFFAOYSA-N
MW626.02 g/mol
LogP10.26
Rot. Bonds8

About ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane

ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane (PubChem CID 143384491) has the molecular formula C41H71NO3 and a molecular weight of 626.02 g/mol. Its IUPAC name is ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane.

Molecular Properties

Compound Nameethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane
PubChem CID143384491
Molecular FormulaC41H71NO3
Molecular Weight626.02 g/mol
Exact Mass625.54
IUPAC Nameethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane
SMILESCC.CCC.COc1ccc(CCNC(=O)C23CCCC2C2CCC(C)C(C)(CCC4C(C)CCC(O)C4(C)C)C2CC3)cc1
InChIInChI=1S/C36H57NO3.C3H8.C2H6/c1-24-9-16-32(38)34(3,4)29(24)17-21-35(5)25(2)10-15-28-30(35)18-22-36(20-7-8-31(28)36)33(39)37-23-19-26-11-13-27(40-6)14-12-26;1-3-2;1-2/h11-14,24-25,28-32,38H,7-10,15-23H2,1-6H3,(H,37,39);3H2,1-2H3;1-2H3
InChIKeyLJLQJAPGHUCFQV-UHFFFAOYSA-N
XLogP10.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.02
LogP ≤ 510.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587190
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-[2-(4-methoxyphenyl)ethylcarbamoyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
CID 59783382
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427

Frequently Asked Questions

What is the IUPAC name of ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane?
The IUPAC name of ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane (CID 143384491) is ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane.
What is the SMILES notation for ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane?
The canonical SMILES for ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane is CC.CCC.COc1ccc(CCNC(=O)C23CCCC2C2CCC(C)C(C)(CCC4C(C)CCC(O)C4(C)C)C2CC3)cc1.
What is the InChIKey of ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane?
The InChIKey is LJLQJAPGHUCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57NO3.C3H8.C2H6/c1-24-9-16-32(38)34(3,4)29(24)17-21-35(5)25(2)10-15-28-30(35)18-22-36(20-7-8-31(28)36)33(39)37-23-19-26-11-13-27(40-6)14-12-26;1-3-2;1-2/h11-14,24-25,28-32,38H,7-10,15-23H2,1-6H3,(H,37,39);3H2,1-2H3;1-2H3.
What are the key properties of ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane?
ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane has a molecular weight of 626.02 g/mol, XLogP of 10.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[2-(3-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3a-carboxamide;propane is sourced from PubChem (CID 143384491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).