N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide

C19H18N2O2 — CID 166239850

IUPACN-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide
SMILESCOC1(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1
InChIInChI=1S/C19H18N2O2/c1-23-19(10-11-19)18(22)21-13-14-6-8-15(9-7-14)17-5-3-2-4-16(17)12-20/h2-9H,10-11,13H2,1H3,(H,21,22)
InChIKeyXRBOHBAFIQUTBC-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.02
Rot. Bonds5

About N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide

N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide (PubChem CID 166239850) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide
PubChem CID166239850
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide
SMILESCOC1(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1
InChIInChI=1S/C19H18N2O2/c1-23-19(10-11-19)18(22)21-13-14-6-8-15(9-7-14)17-5-3-2-4-16(17)12-20/h2-9H,10-11,13H2,1H3,(H,21,22)
InChIKeyXRBOHBAFIQUTBC-UHFFFAOYSA-N
XLogP3.02
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658
N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
CID 141078300
N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]benzamide
CID 139663825
1-[[4-(2-cyanophenyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122008904
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
CID 54768736
4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 119793204
methyl (2S)-2-[4-(2-cyanophenyl)-N-methylanilino]-3-methylbutanoate
CID 73099575
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
methyl 6-[[4-(2-cyanophenyl)phenyl]methylamino]-6-nitrocyclohexa-2,4-diene-1-carboxylate
CID 159248331
[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide
CID 175059823

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide (CID 166239850) is N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide is COC1(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1.
What is the InChIKey of N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide?
The InChIKey is XRBOHBAFIQUTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-19(10-11-19)18(22)21-13-14-6-8-15(9-7-14)17-5-3-2-4-16(17)12-20/h2-9H,10-11,13H2,1H3,(H,21,22).
What are the key properties of N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide?
N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide is sourced from PubChem (CID 166239850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).