(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide

C15H19N3O — CID 108820394

IUPAC(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccccc1CC
InChIInChI=1S/C15H19N3O/c1-3-9-17-15(19)13(10-16)11-18-14-8-6-5-7-12(14)4-2/h5-8,11,18H,3-4,9H2,1-2H3,(H,17,19)/b13-11-
InChIKeySUHUNAINHHAADM-QBFSEMIESA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds6

About (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide

(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide (PubChem CID 108820394) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
PubChem CID108820394
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccccc1CC
InChIInChI=1S/C15H19N3O/c1-3-9-17-15(19)13(10-16)11-18-14-8-6-5-7-12(14)4-2/h5-8,11,18H,3-4,9H2,1-2H3,(H,17,19)/b13-11-
InChIKeySUHUNAINHHAADM-QBFSEMIESA-N
XLogP2.59
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
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)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108837878
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-propylprop-2-enamide
CID 108820244
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108839743
(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108840489
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108833765
(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
CID 108820360
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-propylprop-2-enamide
CID 108820177
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
(Z)-2-cyano-3-(4-iodo-2-methylanilino)-N-propylprop-2-enamide
CID 108820269
(Z)-2-cyano-3-(4-phenoxyanilino)-N-propylprop-2-enamide
CID 108820241
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835124

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide (CID 108820394) is (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\Nc1ccccc1CC.
What is the InChIKey of (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide?
The InChIKey is SUHUNAINHHAADM-QBFSEMIESA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-17-15(19)13(10-16)11-18-14-8-6-5-7-12(14)4-2/h5-8,11,18H,3-4,9H2,1-2H3,(H,17,19)/b13-11-.
What are the key properties of (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide?
(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide has a molecular weight of 257.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide is sourced from PubChem (CID 108820394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).