(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide

C16H17NO2 — CID 39001200

IUPAC(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
SMILESCOc1ccc2cc(/C=C/C(=O)N(C)C)ccc2c1
InChIInChI=1S/C16H17NO2/c1-17(2)16(18)9-5-12-4-6-14-11-15(19-3)8-7-13(14)10-12/h4-11H,1-3H3/b9-5+
InChIKeyKPNHPYYESMQLQE-WEVVVXLNSA-N
MW255.32 g/mol
LogP2.95
Rot. Bonds3

About (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide

(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide (PubChem CID 39001200) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
PubChem CID39001200
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
SMILESCOc1ccc2cc(/C=C/C(=O)N(C)C)ccc2c1
InChIInChI=1S/C16H17NO2/c1-17(2)16(18)9-5-12-4-6-14-11-15(19-3)8-7-13(14)10-12/h4-11H,1-3H3/b9-5+
InChIKeyKPNHPYYESMQLQE-WEVVVXLNSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one
CID 103090788
methyl (Z,2E)-2-(methoxymethylidene)-4-(6-methoxynaphthalen-2-yl)but-3-enoate
CID 101175930
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-1-(3-bromothiophen-2-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 139071517
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
3-(6-methoxynaphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4815904
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide (CID 39001200) is (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide is COc1ccc2cc(/C=C/C(=O)N(C)C)ccc2c1.
What is the InChIKey of (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is KPNHPYYESMQLQE-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)16(18)9-5-12-4-6-14-11-15(19-3)8-7-13(14)10-12/h4-11H,1-3H3/b9-5+.
What are the key properties of (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide?
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 39001200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).