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

C13H18N2O2 — CID 112752545

IUPACN-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
SMILESCOCCNc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-8-7-14-11-3-2-4-12(9-11)15-13(16)10-5-6-10/h2-4,9-10,14H,5-8H2,1H3,(H,15,16)
InChIKeyGGNZUEKWJSQJNX-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.09
Rot. Bonds6

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

N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide (PubChem CID 112752545) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
PubChem CID112752545
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
SMILESCOCCNc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-8-7-14-11-3-2-4-12(9-11)15-13(16)10-5-6-10/h2-4,9-10,14H,5-8H2,1H3,(H,15,16)
InChIKeyGGNZUEKWJSQJNX-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113010317
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide (CID 112752545) is N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide is COCCNc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is GGNZUEKWJSQJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-8-7-14-11-3-2-4-12(9-11)15-13(16)10-5-6-10/h2-4,9-10,14H,5-8H2,1H3,(H,15,16).
What are the key properties of N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112752545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).