(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide

C19H28N4O — CID 108840055

IUPAC(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H28N4O/c1-4-23(5-2)13-9-12-21-15-18(14-20)19(24)22-16(3)17-10-7-6-8-11-17/h6-8,10-11,15-16,21H,4-5,9,12-13H2,1-3H3,(H,22,24)/b18-15-
InChIKeyYGEKBNKTDWXOLY-SDXDJHTJSA-N
MW328.46 g/mol
LogP2.59
Rot. Bonds10

About (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide (PubChem CID 108840055) 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-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
PubChem CID108840055
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H28N4O/c1-4-23(5-2)13-9-12-21-15-18(14-20)19(24)22-16(3)17-10-7-6-8-11-17/h6-8,10-11,15-16,21H,4-5,9,12-13H2,1-3H3,(H,22,24)/b18-15-
InChIKeyYGEKBNKTDWXOLY-SDXDJHTJSA-N
XLogP2.59
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.59
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)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide
CID 108840229
(Z)-3-(2-chloroethylamino)-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108839976
methyl 3-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]propanoate
CID 108840193
(Z)-2-cyano-3-[2-(diethylamino)ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108847067
(Z)-3-[2-(4-chlorophenyl)ethylamino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840220
ethyl 2-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]acetate
CID 108840195
(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840054
(Z)-3-[2-(3-chlorophenyl)ethylamino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840217
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108839999
4-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-enyl]amino]butanoic acid
CID 108847358
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108842235
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108825180

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide (CID 108840055) is (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide is CCN(CC)CCCN/C=C(/C#N)C(=O)NC(C)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is YGEKBNKTDWXOLY-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-23(5-2)13-9-12-21-15-18(14-20)19(24)22-16(3)17-10-7-6-8-11-17/h6-8,10-11,15-16,21H,4-5,9,12-13H2,1-3H3,(H,22,24)/b18-15-.
What are the key properties of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 328.46 g/mol, XLogP of 2.59, 10 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-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108840055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).