ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate

C19H29NO3 — CID 143625975

IUPACethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
SMILESCC.COC(=O)c1cc(C)ccc1NC(=O)C1CCC(C)CC1
InChIInChI=1S/C17H23NO3.C2H6/c1-11-4-7-13(8-5-11)16(19)18-15-9-6-12(2)10-14(15)17(20)21-3;1-2/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,18,19);1-2H3
InChIKeyPUFPVOPFEGLBKT-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.57
Rot. Bonds3

About ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate

ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate (PubChem CID 143625975) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate.

Molecular Properties

Compound Nameethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
PubChem CID143625975
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Nameethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
SMILESCC.COC(=O)c1cc(C)ccc1NC(=O)C1CCC(C)CC1
InChIInChI=1S/C17H23NO3.C2H6/c1-11-4-7-13(8-5-11)16(19)18-15-9-6-12(2)10-14(15)17(20)21-3;1-2/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,18,19);1-2H3
InChIKeyPUFPVOPFEGLBKT-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64767203
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CID 61278907
methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 60921850
methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067304
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
5-methyl-2-(thiane-4-carbonylamino)benzoic acid
CID 120537831
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate?
The IUPAC name of ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate (CID 143625975) is ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate.
What is the SMILES notation for ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate?
The canonical SMILES for ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate is CC.COC(=O)c1cc(C)ccc1NC(=O)C1CCC(C)CC1.
What is the InChIKey of ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate?
The InChIKey is PUFPVOPFEGLBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3.C2H6/c1-11-4-7-13(8-5-11)16(19)18-15-9-6-12(2)10-14(15)17(20)21-3;1-2/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,18,19);1-2H3.
What are the key properties of ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate?
ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate has a molecular weight of 319.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate is sourced from PubChem (CID 143625975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).