(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide

C16H20N4O2 — CID 108832812

IUPAC(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(N/C=C(/C#N)C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H20N4O2/c1-11(2)9-19-16(22)13(8-17)10-18-14-4-6-15(7-5-14)20-12(3)21/h4-7,10-11,18H,9H2,1-3H3,(H,19,22)(H,20,21)/b13-10-
InChIKeyPYNSMPKJQOVCFX-RAXLEYEMSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds6

About (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide

(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide (PubChem CID 108832812) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
PubChem CID108832812
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(N/C=C(/C#N)C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H20N4O2/c1-11(2)9-19-16(22)13(8-17)10-18-14-4-6-15(7-5-14)20-12(3)21/h4-7,10-11,18H,9H2,1-3H3,(H,19,22)(H,20,21)/b13-10-
InChIKeyPYNSMPKJQOVCFX-RAXLEYEMSA-N
XLogP2.24
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-2-cyano-3-(4-ethoxyanilino)-N-(2-methylpropyl)prop-2-enamide
CID 108832911
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
CID 108818617
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-iodoanilino)prop-2-enamide
CID 108818847
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
(Z)-3-(4-acetamidoanilino)-2-cyano-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847285
(Z)-3-(4-chloro-3-nitroanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832902
(Z)-2-cyano-3-[(4-fluorophenyl)methylamino]-N-(2-methylpropyl)prop-2-enamide
CID 108833053
(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
CID 108856600
2-[[(Z)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]amino]-4-methylpentanoic acid
CID 108818453
(Z)-3-(4-acetamidoanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848777
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)prop-2-enamide
CID 108833081
(Z)-2-cyano-3-(2-hydroxypropylamino)-N-(2-methylpropyl)prop-2-enamide
CID 108832958

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide (CID 108832812) is (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide is CC(=O)Nc1ccc(N/C=C(/C#N)C(=O)NCC(C)C)cc1.
What is the InChIKey of (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is PYNSMPKJQOVCFX-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)9-19-16(22)13(8-17)10-18-14-4-6-15(7-5-14)20-12(3)21/h4-7,10-11,18H,9H2,1-3H3,(H,19,22)(H,20,21)/b13-10-.
What are the key properties of (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide?
(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 300.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 108832812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).