(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide

C18H21N3O — CID 108861312

IUPAC(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\Nc1c(C)cccc1C
InChIInChI=1S/C18H21N3O/c1-5-10-21(11-6-2)18(22)16(12-19)13-20-17-14(3)8-7-9-15(17)4/h5-9,13,20H,1-2,10-11H2,3-4H3/b16-13-
InChIKeySRGYJWDEYKMZNI-SSZFMOIBSA-N
MW295.39 g/mol
LogP3.32
Rot. Bonds7

About (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide

(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 108861312) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID108861312
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\Nc1c(C)cccc1C
InChIInChI=1S/C18H21N3O/c1-5-10-21(11-6-2)18(22)16(12-19)13-20-17-14(3)8-7-9-15(17)4/h5-9,13,20H,1-2,10-11H2,3-4H3/b16-13-
InChIKeySRGYJWDEYKMZNI-SSZFMOIBSA-N
XLogP3.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(2-hydroxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861125
(Z)-2-cyano-3-(4-iodo-2-methylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861138
(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108861168
(Z)-3-(4-chloroanilino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861140
ethyl 2-cyano-3-(2,6-dimethylanilino)prop-2-enoate
CID 70458010
(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861275
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861195
(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide
CID 108861031
(Z)-3-(butan-2-ylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861069
(Z)-3-[2-(2-bromophenyl)ethylamino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861360
(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861104
(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861176

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 108861312) is (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C(C#N)=C\Nc1c(C)cccc1C.
What is the InChIKey of (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is SRGYJWDEYKMZNI-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H21N3O/c1-5-10-21(11-6-2)18(22)16(12-19)13-20-17-14(3)8-7-9-15(17)4/h5-9,13,20H,1-2,10-11H2,3-4H3/b16-13-.
What are the key properties of (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 295.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 108861312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).