[1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate

C29H32N2O3 — CID 46085536

IUPAC[1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2C)c1-c1ccc(OC)cc1
InChIInChI=1S/C29H32N2O3/c1-6-30(7-2)29(32)34-27-15-14-26-25(28(27)22-10-12-24(33-5)13-11-22)16-17-31(26)19-23-9-8-20(3)18-21(23)4/h8-18H,6-7,19H2,1-5H3
InChIKeyMGYJMMYFYFEITC-UHFFFAOYSA-N
MW456.59 g/mol
LogP6.82
Rot. Bonds7

About [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate

[1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate (PubChem CID 46085536) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate
PubChem CID46085536
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name[1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2C)c1-c1ccc(OC)cc1
InChIInChI=1S/C29H32N2O3/c1-6-30(7-2)29(32)34-27-15-14-26-25(28(27)22-10-12-24(33-5)13-11-22)16-17-31(26)19-23-9-8-20(3)18-21(23)4/h8-18H,6-7,19H2,1-5H3
InChIKeyMGYJMMYFYFEITC-UHFFFAOYSA-N
XLogP6.82
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate
CID 46085515
[4-(3,5-dimethylphenyl)-1-[(5-fluoro-2-methylphenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085009
[4-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085597
[4-(3,5-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085411
[1-[(2,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)indol-5-yl] N,N-diethylcarbamate
CID 46101275
[4-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085416
[1-[(3,4-difluorophenyl)methyl]-4-(3,4-dimethoxyphenyl)indol-5-yl] N,N-diethylcarbamate
CID 46085410
[4-(4-cyanophenyl)-1-[(2,3,4,5-tetrafluorophenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085003
[4-(3,4-difluorophenyl)-1-[(2-methylnaphthalen-1-yl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085377
[1-[(2-bromophenyl)methyl]-4-(4-cyanophenyl)indol-5-yl] N,N-diethylcarbamate
CID 46102020
[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)indol-5-yl] N,N-diethylcarbamate
CID 46085463
[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(3-chloro-4-fluorophenyl)indol-5-yl] N,N-diethylcarbamate
CID 46085383

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate?
The IUPAC name of [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate (CID 46085536) is [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate.
What is the SMILES notation for [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate?
The canonical SMILES for [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2C)c1-c1ccc(OC)cc1.
What is the InChIKey of [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate?
The InChIKey is MGYJMMYFYFEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-6-30(7-2)29(32)34-27-15-14-26-25(28(27)22-10-12-24(33-5)13-11-22)16-17-31(26)19-23-9-8-20(3)18-21(23)4/h8-18H,6-7,19H2,1-5H3.
What are the key properties of [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate?
[1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate has a molecular weight of 456.59 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dimethylphenyl)methyl]-4-(4-methoxyphenyl)indol-5-yl] N,N-diethylcarbamate is sourced from PubChem (CID 46085536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).