ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate

C20H29NO4 — CID 67267620

IUPACethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C(C)c2cccc(C)c2)CCC(OC)CC1
InChIInChI=1S/C20H29NO4/c1-5-25-19(23)20(11-9-17(24-4)10-12-20)21-18(22)15(3)16-8-6-7-14(2)13-16/h6-8,13,15,17H,5,9-12H2,1-4H3,(H,21,22)
InChIKeyKQCVZANRPWEMGH-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.11
Rot. Bonds6

About ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate

ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate (PubChem CID 67267620) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
PubChem CID67267620
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Nameethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C(C)c2cccc(C)c2)CCC(OC)CC1
InChIInChI=1S/C20H29NO4/c1-5-25-19(23)20(11-9-17(24-4)10-12-20)21-18(22)15(3)16-8-6-7-14(2)13-16/h6-8,13,15,17H,5,9-12H2,1-4H3,(H,21,22)
InChIKeyKQCVZANRPWEMGH-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate (CID 67267620) is ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)C(C)c2cccc(C)c2)CCC(OC)CC1.
What is the InChIKey of ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
The InChIKey is KQCVZANRPWEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-5-25-19(23)20(11-9-17(24-4)10-12-20)21-18(22)15(3)16-8-6-7-14(2)13-16/h6-8,13,15,17H,5,9-12H2,1-4H3,(H,21,22).
What are the key properties of ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate?
ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-1-[2-(3-methylphenyl)propanoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67267620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).