(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide

C18H25N3O2 — CID 108836605

IUPAC(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide
SMILESCCc1cccc(CC)c1N/C=C(/C#N)C(=O)NCCCOC
InChIInChI=1S/C18H25N3O2/c1-4-14-8-6-9-15(5-2)17(14)21-13-16(12-19)18(22)20-10-7-11-23-3/h6,8-9,13,21H,4-5,7,10-11H2,1-3H3,(H,20,22)/b16-13-
InChIKeyGIEZQOFQERPNBY-SSZFMOIBSA-N
MW315.42 g/mol
LogP2.78
Rot. Bonds9

About (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide

(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 108836605) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide
PubChem CID108836605
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide
SMILESCCc1cccc(CC)c1N/C=C(/C#N)C(=O)NCCCOC
InChIInChI=1S/C18H25N3O2/c1-4-14-8-6-9-15(5-2)17(14)21-13-16(12-19)18(22)20-10-7-11-23-3/h6,8-9,13,21H,4-5,7,10-11H2,1-3H3,(H,20,22)/b16-13-
InChIKeyGIEZQOFQERPNBY-SSZFMOIBSA-N
XLogP2.78
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-butoxypropyl)-2-cyano-3-(2-ethyl-6-methylanilino)prop-2-enamide
CID 108836982
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835124
(Z)-3-(3-acetylanilino)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836625
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-(3-methoxypropyl)prop-2-enamide
CID 108836588
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-propylprop-2-enamide
CID 108820244
(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108836709
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836770
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836513
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836628
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-(2-methoxyethylamino)prop-2-enamide
CID 108850681
(Z)-3-[(3-chlorophenyl)methylamino]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836849
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
CID 6214104

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide (CID 108836605) is (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide is CCc1cccc(CC)c1N/C=C(/C#N)C(=O)NCCCOC.
What is the InChIKey of (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is GIEZQOFQERPNBY-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-14-8-6-9-15(5-2)17(14)21-13-16(12-19)18(22)20-10-7-11-23-3/h6,8-9,13,21H,4-5,7,10-11H2,1-3H3,(H,20,22)/b16-13-.
What are the key properties of (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide?
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 315.42 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 108836605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).