(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide

C20H18N4O3 — CID 108856600

IUPAC(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
SMILESCC(=O)Nc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H18N4O3/c1-13(25)15-4-3-5-19(10-15)24-20(27)16(11-21)12-22-17-6-8-18(9-7-17)23-14(2)26/h3-10,12,22H,1-2H3,(H,23,26)(H,24,27)/b16-12-
InChIKeyNHNFFMKREMBDDS-VBKFSLOCSA-N
MW362.39 g/mol
LogP3.31
Rot. Bonds6

About (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide

(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide (PubChem CID 108856600) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
PubChem CID108856600
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
SMILESCC(=O)Nc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H18N4O3/c1-13(25)15-4-3-5-19(10-15)24-20(27)16(11-21)12-22-17-6-8-18(9-7-17)23-14(2)26/h3-10,12,22H,1-2H3,(H,23,26)(H,24,27)/b16-12-
InChIKeyNHNFFMKREMBDDS-VBKFSLOCSA-N
XLogP3.31
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-acetylanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827344
(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
CID 108856731
4-[[(Z)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108856838
(Z)-N-(3-acetylphenyl)-3-(4-tert-butylanilino)-2-cyanoprop-2-enamide
CID 108856828
3-[[(Z)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108818291
(Z)-3-(3-acetylanilino)-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 108821752
(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827436
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849625
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108818841
(Z)-N-acetyl-3-(3-acetylanilino)-2-cyanoprop-2-enamide
CID 98698649
4-[[(Z)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108856239
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide (CID 108856600) is (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide is CC(=O)Nc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide?
The InChIKey is NHNFFMKREMBDDS-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(25)15-4-3-5-19(10-15)24-20(27)16(11-21)12-22-17-6-8-18(9-7-17)23-14(2)26/h3-10,12,22H,1-2H3,(H,23,26)(H,24,27)/b16-12-.
What are the key properties of (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide?
(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide has a molecular weight of 362.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 108856600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).