(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide

C16H21N3O — CID 108837878

IUPAC(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C16H21N3O/c1-5-12-8-6-7-9-14(12)18-11-13(10-17)15(20)19-16(2,3)4/h6-9,11,18H,5H2,1-4H3,(H,19,20)/b13-11-
InChIKeyUMJTTWXSMPLASD-QBFSEMIESA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds4

About (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide

(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide (PubChem CID 108837878) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
PubChem CID108837878
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C16H21N3O/c1-5-12-8-6-7-9-14(12)18-11-13(10-17)15(20)19-16(2,3)4/h6-9,11,18H,5H2,1-4H3,(H,19,20)/b13-11-
InChIKeyUMJTTWXSMPLASD-QBFSEMIESA-N
XLogP2.98
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.98
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)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
CID 108820394
(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-tert-butyl-3-(3-chloro-2-methylanilino)-2-cyanoprop-2-enamide
CID 108837655
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108839743
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108837898
(Z)-2-cyano-3-(2-ethylanilino)-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860189
(Z)-N-tert-butyl-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108837944
(Z)-N-tert-butyl-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108837747
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-nitroanilino)prop-2-enamide
CID 108849144
(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide
CID 108837831

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide (CID 108837878) is (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide is CCc1ccccc1N/C=C(/C#N)C(=O)NC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The InChIKey is UMJTTWXSMPLASD-QBFSEMIESA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-12-8-6-7-9-14(12)18-11-13(10-17)15(20)19-16(2,3)4/h6-9,11,18H,5H2,1-4H3,(H,19,20)/b13-11-.
What are the key properties of (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide is sourced from PubChem (CID 108837878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).