(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide

C14H25N3O — CID 108834513

IUPAC(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)NC(C)CC)CCC
InChIInChI=1S/C14H25N3O/c1-5-8-17(9-6-2)11-13(10-15)14(18)16-12(4)7-3/h11-12H,5-9H2,1-4H3,(H,16,18)/b13-11-
InChIKeyWGZCMRUJDZDIEB-QBFSEMIESA-N
MW251.37 g/mol
LogP2.43
Rot. Bonds8

About (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide

(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide (PubChem CID 108834513) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
PubChem CID108834513
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)NC(C)CC)CCC
InChIInChI=1S/C14H25N3O/c1-5-8-17(9-6-2)11-13(10-15)14(18)16-12(4)7-3/h11-12H,5-9H2,1-4H3,(H,16,18)/b13-11-
InChIKeyWGZCMRUJDZDIEB-QBFSEMIESA-N
XLogP2.43
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.43
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)-N-butan-2-yl-2-cyano-3-(methylamino)prop-2-enamide
CID 108834487
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108842655
(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
CID 108834349
(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108834351
(Z)-N-butan-2-yl-2-cyano-3-(pentylamino)prop-2-enamide
CID 108834447
(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840054
2-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108834366
(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836738
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108860870
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide?
The IUPAC name of (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide (CID 108834513) is (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide is CCCN(/C=C(/C#N)C(=O)NC(C)CC)CCC.
What is the InChIKey of (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide?
The InChIKey is WGZCMRUJDZDIEB-QBFSEMIESA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-17(9-6-2)11-13(10-15)14(18)16-12(4)7-3/h11-12H,5-9H2,1-4H3,(H,16,18)/b13-11-.
What are the key properties of (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide?
(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide has a molecular weight of 251.37 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide is sourced from PubChem (CID 108834513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).