(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

C18H18N2O4 — CID 24749698

IUPAC(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C18H18N2O4/c1-23-14-3-5-15(6-4-14)24-18(22)19-9-8-12-11-20-17-7-2-13(21)10-16(12)17/h2-7,10-11,20-21H,8-9H2,1H3,(H,19,22)
InChIKeyJDUHALWQGIVKRL-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.21
Rot. Bonds5

About (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 24749698) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID24749698
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C18H18N2O4/c1-23-14-3-5-15(6-4-14)24-18(22)19-9-8-12-11-20-17-7-2-13(21)10-16(12)17/h2-7,10-11,20-21H,8-9H2,1H3,(H,19,22)
InChIKeyJDUHALWQGIVKRL-UHFFFAOYSA-N
XLogP3.21
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
(2-chloro-4,5-dimethoxyphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6737402
(6-methyl-2-pyridinyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6735938
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
CID 20979893
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
[(Z)-3-chlorobut-2-enyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 45109027

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (CID 24749698) is (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is COc1ccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is JDUHALWQGIVKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-14-3-5-15(6-4-14)24-18(22)19-9-8-12-11-20-17-7-2-13(21)10-16(12)17/h2-7,10-11,20-21H,8-9H2,1H3,(H,19,22).
What are the key properties of (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 326.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 24749698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).