2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide

C22H35N3O2 — CID 55864159

IUPAC2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C22H35N3O2/c1-2-27-21-12-7-6-11-20(21)23-22(26)18-25-14-8-13-24(15-16-25)17-19-9-4-3-5-10-19/h6-7,11-12,19H,2-5,8-10,13-18H2,1H3,(H,23,26)
InChIKeyXMEDNWVYFVFXOG-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide

2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 55864159) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID55864159
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C22H35N3O2/c1-2-27-21-12-7-6-11-20(21)23-22(26)18-25-14-8-13-24(15-16-25)17-19-9-4-3-5-10-19/h6-7,11-12,19H,2-5,8-10,13-18H2,1H3,(H,23,26)
InChIKeyXMEDNWVYFVFXOG-UHFFFAOYSA-N
XLogP3.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetamide
CID 55864288
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
CID 136511842
2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814765
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 55864159) is 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1CCCN(CC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is XMEDNWVYFVFXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-2-27-21-12-7-6-11-20(21)23-22(26)18-25-14-8-13-24(15-16-25)17-19-9-4-3-5-10-19/h6-7,11-12,19H,2-5,8-10,13-18H2,1H3,(H,23,26).
What are the key properties of 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 373.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 55864159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).