N-(2-phenoxyethoxy)cyclopropanecarboxamide

C12H15NO3 — CID 110294647

IUPACN-(2-phenoxyethoxy)cyclopropanecarboxamide
SMILESO=C(NOCCOc1ccccc1)C1CC1
InChIInChI=1S/C12H15NO3/c14-12(10-6-7-10)13-16-9-8-15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyJWBCFLUFBSAYSY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.52
Rot. Bonds6

About N-(2-phenoxyethoxy)cyclopropanecarboxamide

N-(2-phenoxyethoxy)cyclopropanecarboxamide (PubChem CID 110294647) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-phenoxyethoxy)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethoxy)cyclopropanecarboxamide
PubChem CID110294647
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(2-phenoxyethoxy)cyclopropanecarboxamide
SMILESO=C(NOCCOc1ccccc1)C1CC1
InChIInChI=1S/C12H15NO3/c14-12(10-6-7-10)13-16-9-8-15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyJWBCFLUFBSAYSY-UHFFFAOYSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(2-phenoxyethoxy)urea
CID 110311307
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-(2-phenoxyethoxyamino)prop-2-enoic acid
CID 56625837
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
1-cyclopropyl-6-phenoxyhexan-1-one
CID 64505245
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066
1-benzyl-3-(2-phenoxyethoxy)urea
CID 110354986
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethoxy)cyclopropanecarboxamide?
The IUPAC name of N-(2-phenoxyethoxy)cyclopropanecarboxamide (CID 110294647) is N-(2-phenoxyethoxy)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-phenoxyethoxy)cyclopropanecarboxamide?
The canonical SMILES for N-(2-phenoxyethoxy)cyclopropanecarboxamide is O=C(NOCCOc1ccccc1)C1CC1.
What is the InChIKey of N-(2-phenoxyethoxy)cyclopropanecarboxamide?
The InChIKey is JWBCFLUFBSAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(10-6-7-10)13-16-9-8-15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14).
What are the key properties of N-(2-phenoxyethoxy)cyclopropanecarboxamide?
N-(2-phenoxyethoxy)cyclopropanecarboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethoxy)cyclopropanecarboxamide is sourced from PubChem (CID 110294647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).