(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide

C14H17N3O2 — CID 108837637

IUPAC(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C\Nc1cccc(O)c1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)17-13(19)10(8-15)9-16-11-5-4-6-12(18)7-11/h4-7,9,16,18H,1-3H3,(H,17,19)/b10-9-
InChIKeyKHBPPQQADUXXDG-KTKRTIGZSA-N
MW259.31 g/mol
LogP2.13
Rot. Bonds3

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

(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide (PubChem CID 108837637) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
PubChem CID108837637
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C\Nc1cccc(O)c1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)17-13(19)10(8-15)9-16-11-5-4-6-12(18)7-11/h4-7,9,16,18H,1-3H3,(H,17,19)/b10-9-
InChIKeyKHBPPQQADUXXDG-KTKRTIGZSA-N
XLogP2.13
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.13
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-tert-butyl-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108837910
(Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide
CID 108829464
(Z)-N-tert-butyl-2-cyano-3-(3,4-dimethylanilino)prop-2-enamide
CID 108837804
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816826
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-N-benzyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108842100
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108817050
(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827436
(Z)-N-tert-butyl-3-(3-chloro-2-methylanilino)-2-cyanoprop-2-enamide
CID 108837655
(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide
CID 108837831
(Z)-N-tert-butyl-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108837747

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide (CID 108837637) is (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide is CC(C)(C)NC(=O)/C(C#N)=C\Nc1cccc(O)c1.
What is the InChIKey of (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide?
The InChIKey is KHBPPQQADUXXDG-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)17-13(19)10(8-15)9-16-11-5-4-6-12(18)7-11/h4-7,9,16,18H,1-3H3,(H,17,19)/b10-9-.
What are the key properties of (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide?
(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide has a molecular weight of 259.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide is sourced from PubChem (CID 108837637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).