1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

C20H28N2O4 — CID 108979261

IUPAC1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-25-16-6-8-17(9-7-16)26-15-12-21-18(23)20(10-11-20)19(24)22-13-4-2-3-5-14-22/h6-9H,2-5,10-15H2,1H3,(H,21,23)
InChIKeyFIKKVFKLOOMZDE-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.37
Rot. Bonds7

About 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 108979261) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID108979261
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-25-16-6-8-17(9-7-16)26-15-12-21-18(23)20(10-11-20)19(24)22-13-4-2-3-5-14-22/h6-9H,2-5,10-15H2,1H3,(H,21,23)
InChIKeyFIKKVFKLOOMZDE-UHFFFAOYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979259
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide
CID 108979294
3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031021
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970865
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754

Frequently Asked Questions

What is the IUPAC name of 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (CID 108979261) is 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is COc1ccc(OCCNC(=O)C2(C(=O)N3CCCCCC3)CC2)cc1.
What is the InChIKey of 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is FIKKVFKLOOMZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-16-6-8-17(9-7-16)26-15-12-21-18(23)20(10-11-20)19(24)22-13-4-2-3-5-14-22/h6-9H,2-5,10-15H2,1H3,(H,21,23).
What are the key properties of 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).