[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate

C19H23NO4 — CID 138560407

IUPAC[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate
SMILESCNC(=O)OCCC(Oc1cccc(CCO)c1)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-20-19(22)23-13-11-18(16-7-3-2-4-8-16)24-17-9-5-6-15(14-17)10-12-21/h2-9,14,18,21H,10-13H2,1H3,(H,20,22)
InChIKeyGEXZKBDGGMJGRQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.09
Rot. Bonds8

About [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate

[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate (PubChem CID 138560407) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate
PubChem CID138560407
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate
SMILESCNC(=O)OCCC(Oc1cccc(CCO)c1)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-20-19(22)23-13-11-18(16-7-3-2-4-8-16)24-17-9-5-6-15(14-17)10-12-21/h2-9,14,18,21H,10-13H2,1H3,(H,20,22)
InChIKeyGEXZKBDGGMJGRQ-UHFFFAOYSA-N
XLogP3.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-[2-[4-(4-ethyl-2,2-dimethyloxan-4-yl)piperazin-1-yl]ethyl]phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 138560456
[3-[3-[7-(dimethylamino)-3,4-dimethylpyrazolo[3,4-d]pyridazin-2-yl]phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 134564228
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(3-phenoxyphenyl)methyl N-methylcarbamate
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1-(3-chloro-1-phenylpropoxy)-3-ethylbenzene
CID 112501878
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
[3-[3-fluoro-4-[(1-methyl-5-oxo-2,3-dihydropyrido[4,3-e][1,4]diazepin-4-yl)methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 166721230
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate
CID 175446045
4-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol
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3-[3-(aminomethyl)phenoxy]-3-phenylpropanenitrile
CID 106485258

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate?
The IUPAC name of [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate (CID 138560407) is [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate.
What is the SMILES notation for [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate?
The canonical SMILES for [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate is CNC(=O)OCCC(Oc1cccc(CCO)c1)c1ccccc1.
What is the InChIKey of [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate?
The InChIKey is GEXZKBDGGMJGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20-19(22)23-13-11-18(16-7-3-2-4-8-16)24-17-9-5-6-15(14-17)10-12-21/h2-9,14,18,21H,10-13H2,1H3,(H,20,22).
What are the key properties of [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate?
[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate has a molecular weight of 329.40 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate is sourced from PubChem (CID 138560407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).