N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide

C11H22N2O3 — CID 105061038

IUPACN-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCCNCC1
InChIInChI=1S/C11H22N2O3/c1-15-7-8-16-9-11(14)13-10-3-2-5-12-6-4-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyUCOPXSZJKGTWDY-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.09
Rot. Bonds6

About N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide

N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 105061038) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID105061038
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCCNCC1
InChIInChI=1S/C11H22N2O3/c1-15-7-8-16-9-11(14)13-10-3-2-5-12-6-4-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyUCOPXSZJKGTWDY-UHFFFAOYSA-N
XLogP-0.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
CID 112752762
N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 103722197
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
2-methoxyethyl N-piperidin-4-ylcarbamate
CID 15676970
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
2-[2-(dimethylamino)ethoxy]-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 67242571
2-ethoxy-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 79685871
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide (CID 105061038) is N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is UCOPXSZJKGTWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-7-8-16-9-11(14)13-10-3-2-5-12-6-4-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide?
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 105061038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).