(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide

C15H27N3O — CID 108829642

IUPAC(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NC(C)C)CCCC
InChIInChI=1S/C15H27N3O/c1-5-7-9-18(10-8-6-2)12-14(11-16)15(19)17-13(3)4/h12-13H,5-10H2,1-4H3,(H,17,19)/b14-12-
InChIKeyBVUNVBNYFVVRMO-OWBHPGMISA-N
MW265.40 g/mol
LogP2.82
Rot. Bonds9

About (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide (PubChem CID 108829642) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide
PubChem CID108829642
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NC(C)C)CCCC
InChIInChI=1S/C15H27N3O/c1-5-7-9-18(10-8-6-2)12-14(11-16)15(19)17-13(3)4/h12-13H,5-10H2,1-4H3,(H,17,19)/b14-12-
InChIKeyBVUNVBNYFVVRMO-OWBHPGMISA-N
XLogP2.82
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.82
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)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840054
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108834513
(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide
CID 108862693
(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
CID 2799781
(Z)-3-[bis(2-methylpropyl)amino]-N-butyl-2-cyanoprop-2-enamide
CID 108833800
4-[[(Z)-2-cyano-3-(dibutylamino)prop-2-enoyl]amino]benzoic acid
CID 108823316
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108842655
(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825179
(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863981
(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863428
(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850816

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide (CID 108829642) is (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide is CCCCN(/C=C(/C#N)C(=O)NC(C)C)CCCC.
What is the InChIKey of (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide?
The InChIKey is BVUNVBNYFVVRMO-OWBHPGMISA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-9-18(10-8-6-2)12-14(11-16)15(19)17-13(3)4/h12-13H,5-10H2,1-4H3,(H,17,19)/b14-12-.
What are the key properties of (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide has a molecular weight of 265.40 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 108829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).