2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide

C17H26N2O2 — CID 104677669

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(NC(=O)CC2(CN)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-12-14-6-5-7-15(10-14)19-16(20)11-17(13-18)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-13,18H2,1H3,(H,19,20)
InChIKeySGZLTIDXEBWDEJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.07
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide (PubChem CID 104677669) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide
PubChem CID104677669
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(NC(=O)CC2(CN)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-12-14-6-5-7-15(10-14)19-16(20)11-17(13-18)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-13,18H2,1H3,(H,19,20)
InChIKeySGZLTIDXEBWDEJ-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 104677385
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
CID 81171958
1-(N'-hydroxycarbamimidoyl)-N-[3-(methoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 76921301
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 64894149

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide (CID 104677669) is 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide is COCc1cccc(NC(=O)CC2(CN)CCCCC2)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide?
The InChIKey is SGZLTIDXEBWDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-12-14-6-5-7-15(10-14)19-16(20)11-17(13-18)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-13,18H2,1H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 104677669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).