N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide

C18H18N2O3 — CID 46587460

IUPACN-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1OC
InChIInChI=1S/C18H18N2O3/c1-3-23-17-10-15(8-9-16(17)22-2)18(21)20-12-14-6-4-13(11-19)5-7-14/h4-10H,3,12H2,1-2H3,(H,20,21)
InChIKeyZAAZCNNZJJKGPE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.90
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide

N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 46587460) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
PubChem CID46587460
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1OC
InChIInChI=1S/C18H18N2O3/c1-3-23-17-10-15(8-9-16(17)22-2)18(21)20-12-14-6-4-13(11-19)5-7-14/h4-10H,3,12H2,1-2H3,(H,20,21)
InChIKeyZAAZCNNZJJKGPE-UHFFFAOYSA-N
XLogP2.90
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide (CID 46587460) is N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1OC.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is ZAAZCNNZJJKGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-23-17-10-15(8-9-16(17)22-2)18(21)20-12-14-6-4-13(11-19)5-7-14/h4-10H,3,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide?
N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 310.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 46587460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).