(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide

C14H25N3O2 — CID 108836738

IUPAC(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)NCCCOC)CCC
InChIInChI=1S/C14H25N3O2/c1-4-8-17(9-5-2)12-13(11-15)14(18)16-7-6-10-19-3/h12H,4-10H2,1-3H3,(H,16,18)/b13-12-
InChIKeySWSFAWHAZNIYKL-SEYXRHQNSA-N
MW267.37 g/mol
LogP1.67
Rot. Bonds10

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

(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 108836738) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide
PubChem CID108836738
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)NCCCOC)CCC
InChIInChI=1S/C14H25N3O2/c1-4-8-17(9-5-2)12-13(11-15)14(18)16-7-6-10-19-3/h12H,4-10H2,1-3H3,(H,16,18)/b13-12-
InChIKeySWSFAWHAZNIYKL-SEYXRHQNSA-N
XLogP1.67
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
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)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-2-cyano-3-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)prop-2-enamide
CID 108836747
(Z)-3-[bis(2-methylpropyl)amino]-N-butyl-2-cyanoprop-2-enamide
CID 108833800
(Z)-N-(3-butoxypropyl)-2-cyano-3-[2-hydroxyethyl(methyl)amino]prop-2-enamide
CID 108837091
(Z)-2-cyano-3-(3-formamidopropylamino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836740
(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108834513
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide
CID 108833334
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836605
2-cyano-N-(3-methoxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 4549023
(Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840833
(E)-2-cyano-3-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 7912301
(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide (CID 108836738) is (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide is CCCN(/C=C(/C#N)C(=O)NCCCOC)CCC.
What is the InChIKey of (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is SWSFAWHAZNIYKL-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-8-17(9-5-2)12-13(11-15)14(18)16-7-6-10-19-3/h12H,4-10H2,1-3H3,(H,16,18)/b13-12-.
What are the key properties of (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide?
(Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 267.37 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dipropylamino)-N-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 108836738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).