(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide

C11H19N3O2 — CID 108829779

IUPAC(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\NC(C)(C)CO
InChIInChI=1S/C11H19N3O2/c1-8(2)14-10(16)9(5-12)6-13-11(3,4)7-15/h6,8,13,15H,7H2,1-4H3,(H,14,16)/b9-6-
InChIKeyNYHDJMBEEHGPDQ-TWGQIWQCSA-N
MW225.29 g/mol
LogP0.28
Rot. Bonds5

About (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide (PubChem CID 108829779) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide
PubChem CID108829779
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\NC(C)(C)CO
InChIInChI=1S/C11H19N3O2/c1-8(2)14-10(16)9(5-12)6-13-11(3,4)7-15/h6,8,13,15H,7H2,1-4H3,(H,14,16)/b9-6-
InChIKeyNYHDJMBEEHGPDQ-TWGQIWQCSA-N
XLogP0.28
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
CID 108834349
(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxyphenyl)prop-2-enamide
CID 108828662
(Z)-2-cyano-3-(4-iodoanilino)-N-propan-2-ylprop-2-enamide
CID 108829739
(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
CID 2799781
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)amino]prop-2-enamide
CID 108815262
(Z)-N-butan-2-yl-2-cyano-3-(methylamino)prop-2-enamide
CID 108834487
(Z)-2-cyano-3-[2-(4-methylphenyl)ethylamino]-N-propan-2-ylprop-2-enamide
CID 108829807
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide
CID 108829588
(Z)-2-cyano-3-[(2-methylphenyl)methylamino]-N-propan-2-ylprop-2-enamide
CID 108829789
(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108829770
(Z)-2-cyano-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108847102
(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide
CID 108829642

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide (CID 108829779) is (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(C#N)=C\NC(C)(C)CO.
What is the InChIKey of (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide?
The InChIKey is NYHDJMBEEHGPDQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)14-10(16)9(5-12)6-13-11(3,4)7-15/h6,8,13,15H,7H2,1-4H3,(H,14,16)/b9-6-.
What are the key properties of (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 108829779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).