(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide

C17H16N2O2 — CID 958381

IUPAC(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide
SMILESCC(C)Oc1ccc2ccccc2c1/C=C(/C#N)C(N)=O
InChIInChI=1S/C17H16N2O2/c1-11(2)21-16-8-7-12-5-3-4-6-14(12)15(16)9-13(10-18)17(19)20/h3-9,11H,1-2H3,(H2,19,20)/b13-9-
InChIKeyWYALCMHGBSVNSY-LCYFTJDESA-N
MW280.33 g/mol
LogP3.02
Rot. Bonds4

About (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide

(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide (PubChem CID 958381) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide
PubChem CID958381
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide
SMILESCC(C)Oc1ccc2ccccc2c1/C=C(/C#N)C(N)=O
InChIInChI=1S/C17H16N2O2/c1-11(2)21-16-8-7-12-5-3-4-6-14(12)15(16)9-13(10-18)17(19)20/h3-9,11H,1-2H3,(H2,19,20)/b13-9-
InChIKeyWYALCMHGBSVNSY-LCYFTJDESA-N
XLogP3.02
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.02
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

(E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyanoprop-2-enamide
CID 6001143
(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
CID 19183485
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
CID 10635746
2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 78289437
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
3-[2-[2-(2-chlorophenoxy)ethoxy]naphthalen-1-yl]-2-cyanoprop-2-enoic acid
CID 22687042
(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
CID 2688723
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
CID 3578383
(E)-N-butyl-2-cyano-3-(2-propoxynaphthalen-1-yl)prop-2-enamide
CID 8866638
(Z)-2-cyano-N-cyclopentyl-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 126196041
(Z)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoic acid
CID 8706175
2-(1-formylnaphthalen-2-yl)oxybutanamide
CID 62901202

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide (CID 958381) is (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide is CC(C)Oc1ccc2ccccc2c1/C=C(/C#N)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is WYALCMHGBSVNSY-LCYFTJDESA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)21-16-8-7-12-5-3-4-6-14(12)15(16)9-13(10-18)17(19)20/h3-9,11H,1-2H3,(H2,19,20)/b13-9-.
What are the key properties of (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide?
(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 958381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).