N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride

C22H29ClN2O3 — CID 119612068

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H28N2O3.ClH/c23-14-18-10-4-5-11-19(18)24-22(25)16-27-21-13-7-6-12-20(21)26-15-17-8-2-1-3-9-17;/h1-3,6-9,12-13,18-19H,4-5,10-11,14-16,23H2,(H,24,25);1H
InChIKeyUYHJVYMHFPWVOB-UHFFFAOYSA-N
MW404.94 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride (PubChem CID 119612068) has the molecular formula C22H29ClN2O3 and a molecular weight of 404.94 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
PubChem CID119612068
Molecular FormulaC22H29ClN2O3
Molecular Weight404.94 g/mol
Exact Mass404.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H28N2O3.ClH/c23-14-18-10-4-5-11-19(18)24-22(25)16-27-21-13-7-6-12-20(21)26-15-17-8-2-1-3-9-17;/h1-3,6-9,12-13,18-19H,4-5,10-11,14-16,23H2,(H,24,25);1H
InChIKeyUYHJVYMHFPWVOB-UHFFFAOYSA-N
XLogP3.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
CID 119610062
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119603865
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144
2-(2-aminophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106358626
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347
N-[2-(aminomethyl)cyclopentyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 119600796

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride (CID 119612068) is N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)COc1ccccc1OCc1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
The InChIKey is UYHJVYMHFPWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3.ClH/c23-14-18-10-4-5-11-19(18)24-22(25)16-27-21-13-7-6-12-20(21)26-15-17-8-2-1-3-9-17;/h1-3,6-9,12-13,18-19H,4-5,10-11,14-16,23H2,(H,24,25);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride has a molecular weight of 404.94 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119612068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).