tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate

C20H25NO3 — CID 169468647

IUPACtert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
SMILESCCOc1ccc2ccccc2c1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H25NO3/c1-5-23-18-13-12-15-9-6-7-10-16(15)17(18)11-8-14-21-19(22)24-20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22)
InChIKeyRGQXBWDYMSELRJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate (PubChem CID 169468647) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
PubChem CID169468647
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
SMILESCCOc1ccc2ccccc2c1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H25NO3/c1-5-23-18-13-12-15-9-6-7-10-16(15)17(18)11-8-14-21-19(22)24-20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22)
InChIKeyRGQXBWDYMSELRJ-UHFFFAOYSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169470705
3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine
CID 169474689
tert-butyl N-[3-(10-chloroanthracen-9-yl)prop-2-enyl]carbamate
CID 169468652
tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169468789
tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
CID 169468877
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-2-carboxylic acid
CID 169468300
tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate
CID 86709756
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169467636
tert-butyl N-[2-(1-ethenylnaphthalen-2-yl)ethyl]carbamate
CID 142472908
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate (CID 169468647) is tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate is CCOc1ccc2ccccc2c1C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
The InChIKey is RGQXBWDYMSELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-23-18-13-12-15-9-6-7-10-16(15)17(18)11-8-14-21-19(22)24-20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate has a molecular weight of 327.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).