[1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate

C32H32N2O2 — CID 46085515

IUPAC[1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(ccn2Cc2c(C)ccc3ccccc23)c1-c1ccc(C)cc1
InChIInChI=1S/C32H32N2O2/c1-5-33(6-2)32(35)36-30-18-17-29-27(31(30)25-14-11-22(3)12-15-25)19-20-34(29)21-28-23(4)13-16-24-9-7-8-10-26(24)28/h7-20H,5-6,21H2,1-4H3
InChIKeyHOUOJYGLJYDEJM-UHFFFAOYSA-N
MW476.62 g/mol
LogP7.97
Rot. Bonds6

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

[1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate (PubChem CID 46085515) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate
PubChem CID46085515
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name[1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(ccn2Cc2c(C)ccc3ccccc23)c1-c1ccc(C)cc1
InChIInChI=1S/C32H32N2O2/c1-5-33(6-2)32(35)36-30-18-17-29-27(31(30)25-14-11-22(3)12-15-25)19-20-34(29)21-28-23(4)13-16-24-9-7-8-10-26(24)28/h7-20H,5-6,21H2,1-4H3
InChIKeyHOUOJYGLJYDEJM-UHFFFAOYSA-N
XLogP7.97
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate?
The IUPAC name of [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate (CID 46085515) is [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate.
What is the SMILES notation for [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate?
The canonical SMILES for [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2c(C)ccc3ccccc23)c1-c1ccc(C)cc1.
What is the InChIKey of [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate?
The InChIKey is HOUOJYGLJYDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-5-33(6-2)32(35)36-30-18-17-29-27(31(30)25-14-11-22(3)12-15-25)19-20-34(29)21-28-23(4)13-16-24-9-7-8-10-26(24)28/h7-20H,5-6,21H2,1-4H3.
What are the key properties of [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate?
[1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate has a molecular weight of 476.62 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylnaphthalen-1-yl)methyl]-4-(4-methylphenyl)indol-5-yl] N,N-diethylcarbamate is sourced from PubChem (CID 46085515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).