N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide

C17H27N3O — CID 104689093

IUPACN-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
SMILESCCC1CCCCCN1CC(=O)Nc1ccccc1CN
InChIInChI=1S/C17H27N3O/c1-2-15-9-4-3-7-11-20(15)13-17(21)19-16-10-6-5-8-14(16)12-18/h5-6,8,10,15H,2-4,7,9,11-13,18H2,1H3,(H,19,21)
InChIKeyWGYDMZMPATYSGT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide

N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide (PubChem CID 104689093) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
PubChem CID104689093
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
SMILESCCC1CCCCCN1CC(=O)Nc1ccccc1CN
InChIInChI=1S/C17H27N3O/c1-2-15-9-4-3-7-11-20(15)13-17(21)19-16-10-6-5-8-14(16)12-18/h5-6,8,10,15H,2-4,7,9,11-13,18H2,1H3,(H,19,21)
InChIKeyWGYDMZMPATYSGT-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
N-(2-ethylphenyl)-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4556069
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-[2-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119916158
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792
4-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 51170589
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide (CID 104689093) is N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide is CCC1CCCCCN1CC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide?
The InChIKey is WGYDMZMPATYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-15-9-4-3-7-11-20(15)13-17(21)19-16-10-6-5-8-14(16)12-18/h5-6,8,10,15H,2-4,7,9,11-13,18H2,1H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide?
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide is sourced from PubChem (CID 104689093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).