N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide

C13H18N2O2 — CID 112980891

IUPACN-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
SMILESCOCCNc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-9-8-14-11-4-6-12(7-5-11)15-13(16)10-2-3-10/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyCAHSZEQRZCZXPM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.09
Rot. Bonds6

About N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide

N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide (PubChem CID 112980891) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
PubChem CID112980891
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
SMILESCOCCNc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-9-8-14-11-4-6-12(7-5-11)15-13(16)10-2-3-10/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyCAHSZEQRZCZXPM-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-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113010317
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide
CID 28660474
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 95733866

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide (CID 112980891) is N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide is COCCNc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is CAHSZEQRZCZXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-9-8-14-11-4-6-12(7-5-11)15-13(16)10-2-3-10/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide?
N-[4-(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-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112980891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).