2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide

C18H17N3O2 — CID 110674996

IUPAC2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13(22)21(2)17-9-5-14(6-10-17)11-18(23)20-16-7-3-15(12-19)4-8-16/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyPBJNDNYCMLYRSZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide

2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide (PubChem CID 110674996) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
PubChem CID110674996
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13(22)21(2)17-9-5-14(6-10-17)11-18(23)20-16-7-3-15(12-19)4-8-16/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyPBJNDNYCMLYRSZ-UHFFFAOYSA-N
XLogP2.72
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86857797
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
CID 113159199
N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 62404550
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide (CID 110674996) is 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide is CC(=O)N(C)c1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide?
The InChIKey is PBJNDNYCMLYRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(22)21(2)17-9-5-14(6-10-17)11-18(23)20-16-7-3-15(12-19)4-8-16/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide?
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 110674996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).