(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide

C15H19N3O2 — CID 108857865

IUPAC(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCC(C)O)c(C)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-5-14(11(2)6-10)18-15(20)13(7-16)9-17-8-12(3)19/h4-6,9,12,17,19H,8H2,1-3H3,(H,18,20)/b13-9-
InChIKeyDTUZYQGCBVXMSD-LCYFTJDESA-N
MW273.34 g/mol
LogP1.62
Rot. Bonds5

About (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide

(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide (PubChem CID 108857865) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide
PubChem CID108857865
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCC(C)O)c(C)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-5-14(11(2)6-10)18-15(20)13(7-16)9-17-8-12(3)19/h4-6,9,12,17,19H,8H2,1-3H3,(H,18,20)/b13-9-
InChIKeyDTUZYQGCBVXMSD-LCYFTJDESA-N
XLogP1.62
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.62
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-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857894
(Z)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857766
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108857857
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857823
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)prop-2-enamide
CID 8865213
(Z)-2-cyano-3-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857925
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108858027
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857959
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857887
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108857888
(Z)-2-cyano-3-(2-cyanoethylamino)-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860305

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide (CID 108857865) is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\NCC(C)O)c(C)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide?
The InChIKey is DTUZYQGCBVXMSD-LCYFTJDESA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-5-14(11(2)6-10)18-15(20)13(7-16)9-17-8-12(3)19/h4-6,9,12,17,19H,8H2,1-3H3,(H,18,20)/b13-9-.
What are the key properties of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide?
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide is sourced from PubChem (CID 108857865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).