4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide

C23H28N2O4 — CID 162664047

IUPAC4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC(O)CC2)cc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-15(17-6-4-3-5-7-17)29-22-14-18(8-13-21(22)24-16(2)26)23(28)25-19-9-11-20(27)12-10-19/h3-8,13-15,19-20,27H,9-12H2,1-2H3,(H,24,26)(H,25,28)/t15-,19?,20?/m0/s1
InChIKeyKKDJKYKQVCMCMV-VMEOHVCESA-N
MW396.49 g/mol
LogP3.82
Rot. Bonds6

About 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide

4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide (PubChem CID 162664047) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide.

Molecular Properties

Compound Name4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide
PubChem CID162664047
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC(O)CC2)cc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-15(17-6-4-3-5-7-17)29-22-14-18(8-13-21(22)24-16(2)26)23(28)25-19-9-11-20(27)12-10-19/h3-8,13-15,19-20,27H,9-12H2,1-2H3,(H,24,26)(H,25,28)/t15-,19?,20?/m0/s1
InChIKeyKKDJKYKQVCMCMV-VMEOHVCESA-N
XLogP3.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide 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-[(1S)-1-phenylethoxy]benzamide?
The IUPAC name of 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide (CID 162664047) is 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide.
What is the SMILES notation for 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide?
The canonical SMILES for 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide is CC(=O)Nc1ccc(C(=O)NC2CCC(O)CC2)cc1O[C@@H](C)c1ccccc1.
What is the InChIKey of 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide?
The InChIKey is KKDJKYKQVCMCMV-VMEOHVCESA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(17-6-4-3-5-7-17)29-22-14-18(8-13-21(22)24-16(2)26)23(28)25-19-9-11-20(27)12-10-19/h3-8,13-15,19-20,27H,9-12H2,1-2H3,(H,24,26)(H,25,28)/t15-,19?,20?/m0/s1.
What are the key properties of 4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide?
4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.82, 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-[(1S)-1-phenylethoxy]benzamide is sourced from PubChem (CID 162664047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).