4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide

C22H26N2O4 — CID 162655013

IUPAC4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC(O)CC2)cc1OCc1ccccc1
InChIInChI=1S/C22H26N2O4/c1-15(25)23-20-12-7-17(22(27)24-18-8-10-19(26)11-9-18)13-21(20)28-14-16-5-3-2-4-6-16/h2-7,12-13,18-19,26H,8-11,14H2,1H3,(H,23,25)(H,24,27)
InChIKeyVCSRVQBJTHVXLE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.26
Rot. Bonds6

About 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide

4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide (PubChem CID 162655013) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
PubChem CID162655013
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC(O)CC2)cc1OCc1ccccc1
InChIInChI=1S/C22H26N2O4/c1-15(25)23-20-12-7-17(22(27)24-18-8-10-19(26)11-9-18)13-21(20)28-14-16-5-3-2-4-6-16/h2-7,12-13,18-19,26H,8-11,14H2,1H3,(H,23,25)(H,24,27)
InChIKeyVCSRVQBJTHVXLE-UHFFFAOYSA-N
XLogP3.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide 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 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide?
The IUPAC name of 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide (CID 162655013) is 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide?
The canonical SMILES for 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide is CC(=O)Nc1ccc(C(=O)NC2CCC(O)CC2)cc1OCc1ccccc1.
What is the InChIKey of 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide?
The InChIKey is VCSRVQBJTHVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(25)23-20-12-7-17(22(27)24-18-8-10-19(26)11-9-18)13-21(20)28-14-16-5-3-2-4-6-16/h2-7,12-13,18-19,26H,8-11,14H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide?
4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 162655013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).