N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide

C36H33NO3 — CID 90699972

IUPACN-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccccc2c1)C(C)C(CC=Cc1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C36H33NO3/c1-25(37(26(2)38)23-28-15-17-30-10-4-6-12-32(30)21-28)34(33-18-19-35-36(22-33)40-24-39-35)13-7-8-27-14-16-29-9-3-5-11-31(29)20-27/h3-12,14-22,25,34H,13,23-24H2,1-2H3
InChIKeyPSNFNQKIUQTZAK-UHFFFAOYSA-N
MW527.66 g/mol
LogP8.35
Rot. Bonds8

About N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide

N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide (PubChem CID 90699972) has the molecular formula C36H33NO3 and a molecular weight of 527.66 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide
PubChem CID90699972
Molecular FormulaC36H33NO3
Molecular Weight527.66 g/mol
Exact Mass527.25
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccccc2c1)C(C)C(CC=Cc1ccc2ccccc2c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C36H33NO3/c1-25(37(26(2)38)23-28-15-17-30-10-4-6-12-32(30)21-28)34(33-18-19-35-36(22-33)40-24-39-35)13-7-8-27-14-16-29-9-3-5-11-31(29)20-27/h3-12,14-22,25,34H,13,23-24H2,1-2H3
InChIKeyPSNFNQKIUQTZAK-UHFFFAOYSA-N
XLogP8.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.66
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide (CID 90699972) is N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide is CC(=O)N(Cc1ccc2ccccc2c1)C(C)C(CC=Cc1ccc2ccccc2c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide?
The InChIKey is PSNFNQKIUQTZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33NO3/c1-25(37(26(2)38)23-28-15-17-30-10-4-6-12-32(30)21-28)34(33-18-19-35-36(22-33)40-24-39-35)13-7-8-27-14-16-29-9-3-5-11-31(29)20-27/h3-12,14-22,25,34H,13,23-24H2,1-2H3.
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide?
N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide has a molecular weight of 527.66 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-N-(naphthalen-2-ylmethyl)acetamide is sourced from PubChem (CID 90699972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).