N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide

C23H22N2O2 — CID 112988911

IUPACN-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1)C1CC1
InChIInChI=1S/C23H22N2O2/c26-23(18-6-7-18)25-21-10-8-19(9-11-21)24-20-12-14-22(15-13-20)27-16-17-4-2-1-3-5-17/h1-5,8-15,18,24H,6-7,16H2,(H,25,26)
InChIKeyOJACTELGGRGEOK-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.36
Rot. Bonds7

About N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide

N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide (PubChem CID 112988911) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
PubChem CID112988911
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1)C1CC1
InChIInChI=1S/C23H22N2O2/c26-23(18-6-7-18)25-21-10-8-19(9-11-21)24-20-12-14-22(15-13-20)27-16-17-4-2-1-3-5-17/h1-5,8-15,18,24H,6-7,16H2,(H,25,26)
InChIKeyOJACTELGGRGEOK-UHFFFAOYSA-N
XLogP5.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254
1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 41454969
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
6-[(4-phenylmethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 113218895

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide (CID 112988911) is N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide?
The InChIKey is OJACTELGGRGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23(18-6-7-18)25-21-10-8-19(9-11-21)24-20-12-14-22(15-13-20)27-16-17-4-2-1-3-5-17/h1-5,8-15,18,24H,6-7,16H2,(H,25,26).
What are the key properties of N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide?
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide has a molecular weight of 358.44 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112988911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).