(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide

C15H27N3O — CID 108820332

IUPAC(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NCCC)CCCC
InChIInChI=1S/C15H27N3O/c1-4-7-10-18(11-8-5-2)13-14(12-16)15(19)17-9-6-3/h13H,4-11H2,1-3H3,(H,17,19)/b14-13-
InChIKeyBRGJPWKBUFUNOU-YPKPFQOOSA-N
MW265.40 g/mol
LogP2.82
Rot. Bonds10

About (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide

(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide (PubChem CID 108820332) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
PubChem CID108820332
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NCCC)CCCC
InChIInChI=1S/C15H27N3O/c1-4-7-10-18(11-8-5-2)13-14(12-16)15(19)17-9-6-3/h13H,4-11H2,1-3H3,(H,17,19)/b14-13-
InChIKeyBRGJPWKBUFUNOU-YPKPFQOOSA-N
XLogP2.82
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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-propan-2-ylprop-2-enamide
CID 108829642
(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863981
(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836738
(Z)-3-[bis(2-methylpropyl)amino]-N-butyl-2-cyanoprop-2-enamide
CID 108833800
(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide
CID 108862693
(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863428
(Z)-3-[butyl(propyl)amino]-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108835925
4-[[(Z)-2-cyano-3-(dibutylamino)prop-2-enoyl]amino]benzoic acid
CID 108823316
(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840054
3-[[(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]prop-2-enoyl]amino]propanoic acid
CID 108817727
(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide
CID 108820190
(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825179

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide (CID 108820332) is (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide is CCCCN(/C=C(/C#N)C(=O)NCCC)CCCC.
What is the InChIKey of (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide?
The InChIKey is BRGJPWKBUFUNOU-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-7-10-18(11-8-5-2)13-14(12-16)15(19)17-9-6-3/h13H,4-11H2,1-3H3,(H,17,19)/b14-13-.
What are the key properties of (Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide?
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide has a molecular weight of 265.40 g/mol, XLogP of 2.82, 10 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-propylprop-2-enamide is sourced from PubChem (CID 108820332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).