N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide

C19H29NO3 — CID 138000763

IUPACN-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide
SMILESCOC1CCC(CC(=O)N(C)CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-19(22,16-7-5-4-6-8-16)14-20(2)18(21)13-15-9-11-17(23-3)12-10-15/h4-8,15,17,22H,9-14H2,1-3H3
InChIKeySNVTUFDNJYYPOV-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.95
Rot. Bonds6

About N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide

N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide (PubChem CID 138000763) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide
PubChem CID138000763
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide
SMILESCOC1CCC(CC(=O)N(C)CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-19(22,16-7-5-4-6-8-16)14-20(2)18(21)13-15-9-11-17(23-3)12-10-15/h4-8,15,17,22H,9-14H2,1-3H3
InChIKeySNVTUFDNJYYPOV-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide 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 N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide (CID 138000763) is N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide is COC1CCC(CC(=O)N(C)CC(C)(O)c2ccccc2)CC1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide?
The InChIKey is SNVTUFDNJYYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-19(22,16-7-5-4-6-8-16)14-20(2)18(21)13-15-9-11-17(23-3)12-10-15/h4-8,15,17,22H,9-14H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide?
N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide has a molecular weight of 319.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 138000763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).