2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide

C17H26N2O — CID 63588883

IUPAC2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
SMILESNCc1ccc(CC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H26N2O/c18-13-15-10-8-14(9-11-15)12-17(20)19-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13,18H2,(H,19,20)
InChIKeyOIIRIZNLZJBFDP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.92
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide

2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide (PubChem CID 63588883) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
PubChem CID63588883
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
SMILESNCc1ccc(CC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H26N2O/c18-13-15-10-8-14(9-11-15)12-17(20)19-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13,18H2,(H,19,20)
InChIKeyOIIRIZNLZJBFDP-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
N-cyclohexyl-2-(4-formylphenyl)acetamide
CID 142533026
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
CID 119741910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide (CID 63588883) is 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide is NCc1ccc(CC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide?
The InChIKey is OIIRIZNLZJBFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-13-15-10-8-14(9-11-15)12-17(20)19-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13,18H2,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide?
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide is sourced from PubChem (CID 63588883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).