3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide

C18H18N4O2 — CID 109041283

IUPAC3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N4O2/c1-13(23)21-16-8-6-15(7-9-16)20-11-10-18(24)22-17-4-2-14(12-19)3-5-17/h2-9,20H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyKGAPCIQYSYKJHU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.96
Rot. Bonds6

About 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide

3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 109041283) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
PubChem CID109041283
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N4O2/c1-13(23)21-16-8-6-15(7-9-16)20-11-10-18(24)22-17-4-2-14(12-19)3-5-17/h2-9,20H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyKGAPCIQYSYKJHU-UHFFFAOYSA-N
XLogP2.96
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
CID 109040980
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
N-[2-(4-cyanoanilino)ethyl]acetamide
CID 43401184

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide (CID 109041283) is 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide is CC(=O)Nc1ccc(NCCC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is KGAPCIQYSYKJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(23)21-16-8-6-15(7-9-16)20-11-10-18(24)22-17-4-2-14(12-19)3-5-17/h2-9,20H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide?
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 109041283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).