N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide

C25H24N2O4 — CID 60599177

IUPACN-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C25H24N2O4/c1-2-29-24-18-20(25(28)27-21-11-8-19(9-12-21)14-15-26)10-13-23(24)31-17-16-30-22-6-4-3-5-7-22/h3-13,18H,2,14,16-17H2,1H3,(H,27,28)
InChIKeyIAVPXRSHBIEEAG-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.86
Rot. Bonds10

About N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide

N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide (PubChem CID 60599177) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide
PubChem CID60599177
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C25H24N2O4/c1-2-29-24-18-20(25(28)27-21-11-8-19(9-12-21)14-15-26)10-13-23(24)31-17-16-30-22-6-4-3-5-7-22/h3-13,18H,2,14,16-17H2,1H3,(H,27,28)
InChIKeyIAVPXRSHBIEEAG-UHFFFAOYSA-N
XLogP4.86
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide
CID 42297313
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide
CID 55978677
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide (CID 60599177) is N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCCOc1ccccc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide?
The InChIKey is IAVPXRSHBIEEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-2-29-24-18-20(25(28)27-21-11-8-19(9-12-21)14-15-26)10-13-23(24)31-17-16-30-22-6-4-3-5-7-22/h3-13,18H,2,14,16-17H2,1H3,(H,27,28).
What are the key properties of N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide?
N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 60599177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).