ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate

C20H19N3O3 — CID 90995148

IUPACethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2[nH]c3cc(O)ccc3c2CCC#N)c1
InChIInChI=1S/C20H19N3O3/c1-2-26-20(25)22-14-6-3-5-13(11-14)19-17(7-4-10-21)16-9-8-15(24)12-18(16)23-19/h3,5-6,8-9,11-12,23-24H,2,4,7H2,1H3,(H,22,25)
InChIKeyHFIMIMSOSXWVQX-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.57
Rot. Bonds5

About ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate

ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate (PubChem CID 90995148) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate
PubChem CID90995148
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2[nH]c3cc(O)ccc3c2CCC#N)c1
InChIInChI=1S/C20H19N3O3/c1-2-26-20(25)22-14-6-3-5-13(11-14)19-17(7-4-10-21)16-9-8-15(24)12-18(16)23-19/h3,5-6,8-9,11-12,23-24H,2,4,7H2,1H3,(H,22,25)
InChIKeyHFIMIMSOSXWVQX-UHFFFAOYSA-N
XLogP4.57
TPSA98.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]carbamate
CID 91482312
N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide
CID 90925791
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
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ethyl N-[3-(9H-pyrido[3,4-b]indol-1-yl)phenyl]carbamate
CID 71415674
ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694204
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate
CID 23619616

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate (CID 90995148) is ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2[nH]c3cc(O)ccc3c2CCC#N)c1.
What is the InChIKey of ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate?
The InChIKey is HFIMIMSOSXWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-26-20(25)22-14-6-3-5-13(11-14)19-17(7-4-10-21)16-9-8-15(24)12-18(16)23-19/h3,5-6,8-9,11-12,23-24H,2,4,7H2,1H3,(H,22,25).
What are the key properties of ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate?
ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate has a molecular weight of 349.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 90995148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).