2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide

C17H27N3O — CID 106151650

IUPAC2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCN2CCCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-6-8-15(9-7-14)16(18)17(21)19-10-13-20-11-4-2-3-5-12-20/h6-9,16H,2-5,10-13,18H2,1H3,(H,19,21)
InChIKeyGEDDKGUWOBMFNI-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide

2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 106151650) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID106151650
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCN2CCCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-6-8-15(9-7-14)16(18)17(21)19-10-13-20-11-4-2-3-5-12-20/h6-9,16H,2-5,10-13,18H2,1H3,(H,19,21)
InChIKeyGEDDKGUWOBMFNI-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 106151736
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 120669819
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669818
2-amino-2-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 120667266
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669979
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide (CID 106151650) is 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCCN2CCCCCC2)cc1.
What is the InChIKey of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is GEDDKGUWOBMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-6-8-15(9-7-14)16(18)17(21)19-10-13-20-11-4-2-3-5-12-20/h6-9,16H,2-5,10-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).