(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide

C19H28N4O — CID 108857894

IUPAC(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H28N4O/c1-5-23(6-2)11-7-10-21-14-17(13-20)19(24)22-18-9-8-15(3)12-16(18)4/h8-9,12,14,21H,5-7,10-11H2,1-4H3,(H,22,24)/b17-14-
InChIKeyDIOBVMVPXSPWPV-VKAVYKQESA-N
MW328.46 g/mol
LogP2.97
Rot. Bonds9

About (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide

(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide (PubChem CID 108857894) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
PubChem CID108857894
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H28N4O/c1-5-23(6-2)11-7-10-21-14-17(13-20)19(24)22-18-9-8-15(3)12-16(18)4/h8-9,12,14,21H,5-7,10-11H2,1-4H3,(H,22,24)/b17-14-
InChIKeyDIOBVMVPXSPWPV-VKAVYKQESA-N
XLogP2.97
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108822198
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108825180
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide
CID 108857865
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857959
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108857710
(Z)-3-(3-chloropropylamino)-2-cyano-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843281
(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108825926
(Z)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857766
(Z)-2-cyano-3-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857925
(Z)-2-cyano-3-[2-(diethylamino)ethylamino]-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849305
(Z)-2-cyano-3-(5-hydroxypentylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821462
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
CID 108840055

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide (CID 108857894) is (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide is CCN(CC)CCCN/C=C(/C#N)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide?
The InChIKey is DIOBVMVPXSPWPV-VKAVYKQESA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-23(6-2)11-7-10-21-14-17(13-20)19(24)22-18-9-8-15(3)12-16(18)4/h8-9,12,14,21H,5-7,10-11H2,1-4H3,(H,22,24)/b17-14-.
What are the key properties of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide?
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide has a molecular weight of 328.46 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 108857894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).