ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate

C21H33NO4 — CID 143518887

IUPACethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
SMILESCC.COC(=O)c1cc(O)ccc1N(C(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C19H27NO4.C2H6/c1-12(2)20(18(22)14-7-5-13(3)6-8-14)17-10-9-15(21)11-16(17)19(23)24-4;1-2/h9-14,21H,5-8H2,1-4H3;1-2H3
InChIKeyYRRSVFDLUWTQLC-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.77
Rot. Bonds4

About ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate

ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate (PubChem CID 143518887) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate.

Molecular Properties

Compound Nameethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
PubChem CID143518887
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Nameethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
SMILESCC.COC(=O)c1cc(O)ccc1N(C(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C19H27NO4.C2H6/c1-12(2)20(18(22)14-7-5-13(3)6-8-14)17-10-9-15(21)11-16(17)19(23)24-4;1-2/h9-14,21H,5-8H2,1-4H3;1-2H3
InChIKeyYRRSVFDLUWTQLC-UHFFFAOYSA-N
XLogP4.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 59569067
ethane;methyl 5-[4-(aminomethyl)-2-(trifluoromethyl)phenoxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 143518797
methyl 5-boranyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
CID 145493279
methyl 5-[[5-(3-bromo-2-oxopropyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 59665251
methyl 2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-(morpholin-4-ylmethyl)-2-(trifluoromethyl)phenoxy]benzoate
CID 58970033
2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-4-phenoxybenzoic acid
CID 72725125
3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid
CID 22496298
methyl 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(4-pyridin-2-ylphenyl)thiophene-2-carboxylate
CID 71055048
methyl 2-[bicyclo[5.2.0]nonane-4-carbonyl(propan-2-yl)amino]-8-formyldibenzofuran-3-carboxylate
CID 87413472
[5-[4-(4-chlorophenyl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophen-2-yl] hydrogen carbonate
CID 68798183
4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 70834124
ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
CID 143625975

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The IUPAC name of ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate (CID 143518887) is ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate.
What is the SMILES notation for ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The canonical SMILES for ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate is CC.COC(=O)c1cc(O)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.
What is the InChIKey of ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The InChIKey is YRRSVFDLUWTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4.C2H6/c1-12(2)20(18(22)14-7-5-13(3)6-8-14)17-10-9-15(21)11-16(17)19(23)24-4;1-2/h9-14,21H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate has a molecular weight of 363.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate is sourced from PubChem (CID 143518887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).