benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate

C21H26N2O3 — CID 169472519

IUPACbenzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate
SMILESCN(C)CCOc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-23(2)15-16-25-20-12-10-18(11-13-20)9-6-14-22-21(24)26-17-19-7-4-3-5-8-19/h3-13H,14-17H2,1-2H3,(H,22,24)
InChIKeyXWNGGJWMTOIUCT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.57
Rot. Bonds9

About benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate

benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate (PubChem CID 169472519) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate
PubChem CID169472519
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namebenzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate
SMILESCN(C)CCOc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-23(2)15-16-25-20-12-10-18(11-13-20)9-6-14-22-21(24)26-17-19-7-4-3-5-8-19/h3-13H,14-17H2,1-2H3,(H,22,24)
InChIKeyXWNGGJWMTOIUCT-UHFFFAOYSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(4-heptoxyphenyl)prop-2-enyl]carbamate
CID 169472791
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
CID 169471837
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-(4-isocyanatophenyl)prop-2-enyl]carbamate
CID 169471719
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate (CID 169472519) is benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate is CN(C)CCOc1ccc(C=CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate?
The InChIKey is XWNGGJWMTOIUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-23(2)15-16-25-20-12-10-18(11-13-20)9-6-14-22-21(24)26-17-19-7-4-3-5-8-19/h3-13H,14-17H2,1-2H3,(H,22,24).
What are the key properties of benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169472519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).