3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C18H28N2O3 — CID 109031021

IUPAC3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-22-16-6-8-17(9-7-16)23-15-11-19-18(21)10-14-20-12-4-2-3-5-13-20/h6-9H,2-5,10-15H2,1H3,(H,19,21)
InChIKeyDZAQEVYAAKRSKF-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.46
Rot. Bonds8

About 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 109031021) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID109031021
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-22-16-6-8-17(9-7-16)23-15-11-19-18(21)10-14-20-12-4-2-3-5-13-20/h6-9H,2-5,10-15H2,1H3,(H,19,21)
InChIKeyDZAQEVYAAKRSKF-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014538
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030502
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
1-[3-(4-methoxyphenoxy)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111415483
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
CID 112994880
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid
CID 20986229
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 109031021) is 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCN2CCCCCC2)cc1.
What is the InChIKey of 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is DZAQEVYAAKRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-22-16-6-8-17(9-7-16)23-15-11-19-18(21)10-14-20-12-4-2-3-5-13-20/h6-9H,2-5,10-15H2,1H3,(H,19,21).
What are the key properties of 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 320.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 109031021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).