(Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide

C11H19N3O2 — CID 108833703

IUPAC(Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide
SMILESCCCCNC(=O)/C(C#N)=C\NCC(C)O
InChIInChI=1S/C11H19N3O2/c1-3-4-5-14-11(16)10(6-12)8-13-7-9(2)15/h8-9,13,15H,3-5,7H2,1-2H3,(H,14,16)/b10-8-
InChIKeyKMNQDAZLXGHIEM-NTMALXAHSA-N
MW225.29 g/mol
LogP0.28
Rot. Bonds7

About (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide

(Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide (PubChem CID 108833703) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide
PubChem CID108833703
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide
SMILESCCCCNC(=O)/C(C#N)=C\NCC(C)O
InChIInChI=1S/C11H19N3O2/c1-3-4-5-14-11(16)10(6-12)8-13-7-9(2)15/h8-9,13,15H,3-5,7H2,1-2H3,(H,14,16)/b10-8-
InChIKeyKMNQDAZLXGHIEM-NTMALXAHSA-N
XLogP0.28
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
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'}

Analyze (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-butyl-3-(butylamino)-2-cyanoprop-2-enamide
CID 108833598
(Z)-2-cyano-3-(2-hydroxypropylamino)-N-(2-methylpropyl)prop-2-enamide
CID 108832958
3-[[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]propanoic acid
CID 108833555
3-[[(Z)-2-cyano-3-(2-methylpropylamino)prop-2-enoyl]amino]propanoic acid
CID 108817586
2-[[(Z)-3-(butylamino)-2-cyanoprop-2-enoyl]amino]propanoic acid
CID 108844714
(Z)-3-[bis(2-methylpropyl)amino]-N-butyl-2-cyanoprop-2-enamide
CID 108833800
(Z)-N-butan-2-yl-2-cyano-3-(pentylamino)prop-2-enamide
CID 108834447
(Z)-N-butyl-2-cyano-3-[2-(4-methoxyphenoxy)ethylamino]prop-2-enamide
CID 108833807
(Z)-N-butyl-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108833615
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide
CID 108833334
2-[[(Z)-2-cyano-3-(pentylamino)prop-2-enoyl]amino]acetic acid
CID 108844077
(Z)-N-butyl-2-cyano-3-(4-fluoroanilino)prop-2-enamide
CID 108833646

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide?
The IUPAC name of (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide (CID 108833703) is (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide is CCCCNC(=O)/C(C#N)=C\NCC(C)O.
What is the InChIKey of (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide?
The InChIKey is KMNQDAZLXGHIEM-NTMALXAHSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-5-14-11(16)10(6-12)8-13-7-9(2)15/h8-9,13,15H,3-5,7H2,1-2H3,(H,14,16)/b10-8-.
What are the key properties of (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide?
(Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-2-cyano-3-(2-hydroxypropylamino)prop-2-enamide is sourced from PubChem (CID 108833703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).