2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride

C17H27ClN2O3 — CID 119325911

IUPAC2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
SMILESCOc1ccc(C2(CNC(=O)CN)CCCCC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-14-7-6-13(10-15(14)22-2)17(8-4-3-5-9-17)12-19-16(20)11-18;/h6-7,10H,3-5,8-9,11-12,18H2,1-2H3,(H,19,20);1H
InChIKeyXSHBGQGHSYNZSR-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.40
Rot. Bonds6

About 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride

2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride (PubChem CID 119325911) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
PubChem CID119325911
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
SMILESCOc1ccc(C2(CNC(=O)CN)CCCCC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-14-7-6-13(10-15(14)22-2)17(8-4-3-5-9-17)12-19-16(20)11-18;/h6-7,10H,3-5,8-9,11-12,18H2,1-2H3,(H,19,20);1H
InChIKeyXSHBGQGHSYNZSR-UHFFFAOYSA-N
XLogP2.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119787567
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
methyl 3-[[N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111580877
3-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1,1,2-trimethylguanidine
CID 111580985
4-[[[N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111580807
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2870147
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride (CID 119325911) is 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride is COc1ccc(C2(CNC(=O)CN)CCCCC2)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride?
The InChIKey is XSHBGQGHSYNZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-21-14-7-6-13(10-15(14)22-2)17(8-4-3-5-9-17)12-19-16(20)11-18;/h6-7,10H,3-5,8-9,11-12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride?
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119325911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).