(3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate

C19H22N2O2 — CID 143132630

IUPAC(3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC1C=C(COC(=O)NCCc2c[nH]c3ccccc23)C=CC1
InChIInChI=1S/C19H22N2O2/c1-14-5-4-6-15(11-14)13-23-19(22)20-10-9-16-12-21-18-8-3-2-7-17(16)18/h2-4,6-8,11-12,14,21H,5,9-10,13H2,1H3,(H,20,22)
InChIKeyYEHDTVCUADUJQO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.96
Rot. Bonds5

About (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate

(3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 143132630) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name(3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID143132630
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC1C=C(COC(=O)NCCc2c[nH]c3ccccc23)C=CC1
InChIInChI=1S/C19H22N2O2/c1-14-5-4-6-15(11-14)13-23-19(22)20-10-9-16-12-21-18-8-3-2-7-17(16)18/h2-4,6-8,11-12,14,21H,5,9-10,13H2,1H3,(H,20,22)
InChIKeyYEHDTVCUADUJQO-UHFFFAOYSA-N
XLogP3.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-nitrophenyl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
CID 24807702
3-[2-(2-sulfonatosulfanylethoxycarbonylamino)ethyl]-1H-indole
CID 3137667
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
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2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
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2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
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3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
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1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108915571
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate (CID 143132630) is (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate is CC1C=C(COC(=O)NCCc2c[nH]c3ccccc23)C=CC1.
What is the InChIKey of (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is YEHDTVCUADUJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-5-4-6-15(11-14)13-23-19(22)20-10-9-16-12-21-18-8-3-2-7-17(16)18/h2-4,6-8,11-12,14,21H,5,9-10,13H2,1H3,(H,20,22).
What are the key properties of (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
(3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexa-1,5-dien-1-yl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 143132630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).