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

C16H25N3O — CID 108861281

IUPAC(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\N(CC)C(C)(C)C
InChIInChI=1S/C16H25N3O/c1-7-10-18(11-8-2)15(20)14(12-17)13-19(9-3)16(4,5)6/h7-8,13H,1-2,9-11H2,3-6H3/b14-13-
InChIKeyKFIYWTCRKYYFQI-YPKPFQOOSA-N
MW275.40 g/mol
LogP2.71
Rot. Bonds7

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

(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 108861281) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID108861281
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\N(CC)C(C)(C)C
InChIInChI=1S/C16H25N3O/c1-7-10-18(11-8-2)15(20)14(12-17)13-19(9-3)16(4,5)6/h7-8,13H,1-2,9-11H2,3-6H3/b14-13-
InChIKeyKFIYWTCRKYYFQI-YPKPFQOOSA-N
XLogP2.71
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
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)-3-(butan-2-ylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861069
(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide
CID 108861031
(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861176
(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858717
(Z)-3-(3-butoxypropylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861076
(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861312
4-[[(Z)-3-[tert-butyl(ethyl)amino]-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819294
(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
4-[[(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-3-oxoprop-1-enyl]amino]butanoic acid
CID 108861100
(Z)-2-cyano-3-(2-hydroxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861125
(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861275

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide (CID 108861281) is (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C(C#N)=C\N(CC)C(C)(C)C.
What is the InChIKey of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is KFIYWTCRKYYFQI-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H25N3O/c1-7-10-18(11-8-2)15(20)14(12-17)13-19(9-3)16(4,5)6/h7-8,13H,1-2,9-11H2,3-6H3/b14-13-.
What are the key properties of (Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide?
(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 275.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 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,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 108861281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).