N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide

C19H22N2O2 — CID 112983563

IUPACN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-4-2-3-14(13-18)11-12-20-16-7-9-17(10-8-16)21-19(22)15-5-6-15/h2-4,7-10,13,15,20H,5-6,11-12H2,1H3,(H,21,22)
InChIKeyLLBOWCRBXXHCAI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds7

About N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide (PubChem CID 112983563) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
PubChem CID112983563
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-4-2-3-14(13-18)11-12-20-16-7-9-17(10-8-16)21-19(22)15-5-6-15/h2-4,7-10,13,15,20H,5-6,11-12H2,1H3,(H,21,22)
InChIKeyLLBOWCRBXXHCAI-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
CID 112983566
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
CID 112983603
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline
CID 166807516
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
1-N-(4-tert-butylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137929
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112983594
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide (CID 112983563) is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide is COc1cccc(CCNc2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is LLBOWCRBXXHCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-4-2-3-14(13-18)11-12-20-16-7-9-17(10-8-16)21-19(22)15-5-6-15/h2-4,7-10,13,15,20H,5-6,11-12H2,1H3,(H,21,22).
What are the key properties of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide?
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112983563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).