(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide

C20H29N3O — CID 108840054

IUPAC(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NC(C)c1ccccc1)CCCC
InChIInChI=1S/C20H29N3O/c1-4-6-13-23(14-7-5-2)16-19(15-21)20(24)22-17(3)18-11-9-8-10-12-18/h8-12,16-17H,4-7,13-14H2,1-3H3,(H,22,24)/b19-16-
InChIKeyTWRCBFQKIVZEAS-MNDPQUGUSA-N
MW327.47 g/mol
LogP4.17
Rot. Bonds10

About (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide (PubChem CID 108840054) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
PubChem CID108840054
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NC(C)c1ccccc1)CCCC
InChIInChI=1S/C20H29N3O/c1-4-6-13-23(14-7-5-2)16-19(15-21)20(24)22-17(3)18-11-9-8-10-12-18/h8-12,16-17H,4-7,13-14H2,1-3H3,(H,22,24)/b19-16-
InChIKeyTWRCBFQKIVZEAS-MNDPQUGUSA-N
XLogP4.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(dibutylamino)-N-propan-2-ylprop-2-enamide
CID 108829642
(Z)-3-[acetyl(2-aminoethyl)amino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840132
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
CID 108840055
N',N'-dibutyl-N-(1-phenylethyl)oxamide
CID 108507880
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(Z)-N-benzhydryl-3-[bis(2-methylpropyl)amino]-2-cyanoprop-2-enamide
CID 108840497
2-cyano-3-(4-hexoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4129645
4-[[(Z)-2-cyano-3-(dibutylamino)prop-2-enoyl]amino]benzoic acid
CID 108823316
butyl 2-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]benzoate
CID 108839980
(Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847412
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-3-(2-chloroethylamino)-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108839976

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide (CID 108840054) is (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide is CCCCN(/C=C(/C#N)C(=O)NC(C)c1ccccc1)CCCC.
What is the InChIKey of (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is TWRCBFQKIVZEAS-MNDPQUGUSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-6-13-23(14-7-5-2)16-19(15-21)20(24)22-17(3)18-11-9-8-10-12-18/h8-12,16-17H,4-7,13-14H2,1-3H3,(H,22,24)/b19-16-.
What are the key properties of (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 327.47 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108840054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).