ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate

C17H19NO3 — CID 10424062

IUPACethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate
SMILESCCOC(=O)N/C=C(\C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H19NO3/c1-4-21-17(19)18-11-12(2)13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-11H,4H2,1-3H3,(H,18,19)/b12-11+
InChIKeyJUNVNUGGZWUVQU-VAWYXSNFSA-N
MW285.34 g/mol
LogP3.96
Rot. Bonds4

About ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate

ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate (PubChem CID 10424062) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate
PubChem CID10424062
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate
SMILESCCOC(=O)N/C=C(\C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H19NO3/c1-4-21-17(19)18-11-12(2)13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-11H,4H2,1-3H3,(H,18,19)/b12-11+
InChIKeyJUNVNUGGZWUVQU-VAWYXSNFSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate
CID 88744288
3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
CID 8972630
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
ethyl acetate;4-methoxybenzoic acid
CID 158342660

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate?
The IUPAC name of ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate (CID 10424062) is ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate.
What is the SMILES notation for ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate?
The canonical SMILES for ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate is CCOC(=O)N/C=C(\C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate?
The InChIKey is JUNVNUGGZWUVQU-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-21-17(19)18-11-12(2)13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-11H,4H2,1-3H3,(H,18,19)/b12-11+.
What are the key properties of ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate?
ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate is sourced from PubChem (CID 10424062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).