N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide

C13H17NO3 — CID 47231480

IUPACN-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
SMILESCOCCOc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H17NO3/c1-16-7-8-17-12-4-2-3-11(9-12)14-13(15)10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyQULAUQLVUCQEKJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.06
Rot. Bonds6

About N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide

N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide (PubChem CID 47231480) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
PubChem CID47231480
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
SMILESCOCCOc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H17NO3/c1-16-7-8-17-12-4-2-3-11(9-12)14-13(15)10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyQULAUQLVUCQEKJ-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
cis-(1S,2R)-2-[[3-(2-methoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41385907
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
(2S,5R)-5-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxolane-2-carboxamide
CID 120787434
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 110604617

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide (CID 47231480) is N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide is COCCOc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide?
The InChIKey is QULAUQLVUCQEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-7-8-17-12-4-2-3-11(9-12)14-13(15)10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide?
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47231480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).