[1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate

C20H29NO4 — CID 70001761

IUPAC[1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate
SMILESCCNC(=O)C1(OC(=O)c2ccc(O)cc2)CC(C)CCC1C(C)C
InChIInChI=1S/C20H29NO4/c1-5-21-19(24)20(12-14(4)6-11-17(20)13(2)3)25-18(23)15-7-9-16(22)10-8-15/h7-10,13-14,17,22H,5-6,11-12H2,1-4H3,(H,21,24)
InChIKeyNMQCKFSEMJUUGQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.52
Rot. Bonds5

About [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate

[1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate (PubChem CID 70001761) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate
PubChem CID70001761
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name[1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate
SMILESCCNC(=O)C1(OC(=O)c2ccc(O)cc2)CC(C)CCC1C(C)C
InChIInChI=1S/C20H29NO4/c1-5-21-19(24)20(12-14(4)6-11-17(20)13(2)3)25-18(23)15-7-9-16(22)10-8-15/h7-10,13-14,17,22H,5-6,11-12H2,1-4H3,(H,21,24)
InChIKeyNMQCKFSEMJUUGQ-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate?
The IUPAC name of [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate (CID 70001761) is [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate.
What is the SMILES notation for [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate?
The canonical SMILES for [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate is CCNC(=O)C1(OC(=O)c2ccc(O)cc2)CC(C)CCC1C(C)C.
What is the InChIKey of [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate?
The InChIKey is NMQCKFSEMJUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-5-21-19(24)20(12-14(4)6-11-17(20)13(2)3)25-18(23)15-7-9-16(22)10-8-15/h7-10,13-14,17,22H,5-6,11-12H2,1-4H3,(H,21,24).
What are the key properties of [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate?
[1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate has a molecular weight of 347.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoyl)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybenzoate is sourced from PubChem (CID 70001761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).