2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide

C16H24N2O2 — CID 62548613

IUPAC2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
SMILESNCc1cccc(OCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O2/c17-11-13-6-5-9-15(10-13)20-12-16(19)18-14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-12,17H2,(H,18,19)
InChIKeyPAFPXCPXEZYOGE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.36
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide

2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide (PubChem CID 62548613) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
PubChem CID62548613
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
SMILESNCc1cccc(OCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O2/c17-11-13-6-5-9-15(10-13)20-12-16(19)18-14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-12,17H2,(H,18,19)
InChIKeyPAFPXCPXEZYOGE-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
2-[3-(aminomethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 106485172
N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]cycloheptanecarboxamide
CID 86777165
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide
CID 103565946
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
N-(cyclohexylcarbamoyl)-2-(3-ethylphenoxy)acetamide
CID 7642586
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide (CID 62548613) is 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide is NCc1cccc(OCC(=O)NC2CCCCCC2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide?
The InChIKey is PAFPXCPXEZYOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-11-13-6-5-9-15(10-13)20-12-16(19)18-14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-12,17H2,(H,18,19).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide?
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide is sourced from PubChem (CID 62548613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).