2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide

C16H25N3O — CID 61239604

IUPAC2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCN1CCCCCC1
InChIInChI=1S/C16H25N3O/c17-15-8-4-3-7-14(15)13-16(20)18-9-12-19-10-5-1-2-6-11-19/h3-4,7-8H,1-2,5-6,9-13,17H2,(H,18,20)
InChIKeyNKCSCRAHCACOBG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.80
Rot. Bonds5

About 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide

2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide (PubChem CID 61239604) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
PubChem CID61239604
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCN1CCCCCC1
InChIInChI=1S/C16H25N3O/c17-15-8-4-3-7-14(15)13-16(20)18-9-12-19-10-5-1-2-6-11-19/h3-4,7-8H,1-2,5-6,9-13,17H2,(H,18,20)
InChIKeyNKCSCRAHCACOBG-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide (CID 61239604) is 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide is Nc1ccccc1CC(=O)NCCN1CCCCCC1.
What is the InChIKey of 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The InChIKey is NKCSCRAHCACOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-15-8-4-3-7-14(15)13-16(20)18-9-12-19-10-5-1-2-6-11-19/h3-4,7-8H,1-2,5-6,9-13,17H2,(H,18,20).
What are the key properties of 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 61239604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).