N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide

C19H20N2O2 — CID 110664177

IUPACN-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NC(C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-23-17-10-6-15(7-11-17)12-19(22)21-18(13-20)16-8-4-14(2)5-9-16/h4-11,18H,3,12H2,1-2H3,(H,21,22)
InChIKeyMMHPIRWIXPOVIE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.32
Rot. Bonds6

About N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide

N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 110664177) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID110664177
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NC(C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-23-17-10-6-15(7-11-17)12-19(22)21-18(13-20)16-8-4-14(2)5-9-16/h4-11,18H,3,12H2,1-2H3,(H,21,22)
InChIKeyMMHPIRWIXPOVIE-UHFFFAOYSA-N
XLogP3.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
1-[cyano-(4-methylphenyl)methyl]-3-propan-2-ylurea
CID 110664273
N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
CID 63821795

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide (CID 110664177) is N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NC(C#N)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is MMHPIRWIXPOVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-23-17-10-6-15(7-11-17)12-19(22)21-18(13-20)16-8-4-14(2)5-9-16/h4-11,18H,3,12H2,1-2H3,(H,21,22).
What are the key properties of N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide?
N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 110664177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).