(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide

C17H23N3O — CID 108858717

IUPAC(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-6-20(17(3,4)5)12-14(11-18)16(21)19-15-9-7-8-13(2)10-15/h7-10,12H,6H2,1-5H3,(H,19,21)/b14-12-
InChIKeyNPRSRMRFKSDOLH-OWBHPGMISA-N
MW285.39 g/mol
LogP3.46
Rot. Bonds4

About (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide

(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide (PubChem CID 108858717) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
PubChem CID108858717
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-6-20(17(3,4)5)12-14(11-18)16(21)19-15-9-7-8-13(2)10-15/h7-10,12H,6H2,1-5H3,(H,19,21)/b14-12-
InChIKeyNPRSRMRFKSDOLH-OWBHPGMISA-N
XLogP3.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.46
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)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858579
4-[[(Z)-3-[tert-butyl(ethyl)amino]-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819294
methyl 2-[[(Z)-3-[tert-butyl(ethyl)amino]-2-cyanoprop-2-enoyl]amino]benzoate
CID 108851642
2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 71437249
(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide
CID 108856788
(Z)-3-(4-bromoanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858457
2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 3828675
(Z)-3-(4-bromo-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858758
(Z)-2-cyano-N-(3-methylphenyl)-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108858673
(Z)-3-(4-butylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858490
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
(Z)-2-cyano-N-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 124624476

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide (CID 108858717) is (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide is CCN(/C=C(/C#N)C(=O)Nc1cccc(C)c1)C(C)(C)C.
What is the InChIKey of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is NPRSRMRFKSDOLH-OWBHPGMISA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-20(17(3,4)5)12-14(11-18)16(21)19-15-9-7-8-13(2)10-15/h7-10,12H,6H2,1-5H3,(H,19,21)/b14-12-.
What are the key properties of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 285.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108858717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).