N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide

C32H32N2O3 — CID 70601262

IUPACN-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccccc2COCc2ccccc2-c2cccc(NC(C)=O)c2C)c1C
InChIInChI=1S/C32H32N2O3/c1-21-27(15-9-17-31(21)33-23(3)35)29-13-7-5-11-25(29)19-37-20-26-12-6-8-14-30(26)28-16-10-18-32(22(28)2)34-24(4)36/h5-18H,19-20H2,1-4H3,(H,33,35)(H,34,36)
InChIKeySUBJTWOJBUNAMQ-UHFFFAOYSA-N
MW492.62 g/mol
LogP7.27
Rot. Bonds8

About N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide

N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide (PubChem CID 70601262) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide
PubChem CID70601262
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC NameN-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccccc2COCc2ccccc2-c2cccc(NC(C)=O)c2C)c1C
InChIInChI=1S/C32H32N2O3/c1-21-27(15-9-17-31(21)33-23(3)35)29-13-7-5-11-25(29)19-37-20-26-12-6-8-14-30(26)28-16-10-18-32(22(28)2)34-24(4)36/h5-18H,19-20H2,1-4H3,(H,33,35)(H,34,36)
InChIKeySUBJTWOJBUNAMQ-UHFFFAOYSA-N
XLogP7.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235
3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline
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N-(3-acetamido-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 39975983
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
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N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
CID 134019127
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
N-[2-[2-(aminomethyl)-6-methylphenoxy]phenyl]acetamide
CID 107105915
N-(9,9'-spirobi[fluorene]-1-yl)acetamide
CID 175536540
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide (CID 70601262) is N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(-c2ccccc2COCc2ccccc2-c2cccc(NC(C)=O)c2C)c1C.
What is the InChIKey of N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide?
The InChIKey is SUBJTWOJBUNAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-21-27(15-9-17-31(21)33-23(3)35)29-13-7-5-11-25(29)19-37-20-26-12-6-8-14-30(26)28-16-10-18-32(22(28)2)34-24(4)36/h5-18H,19-20H2,1-4H3,(H,33,35)(H,34,36).
What are the key properties of N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide?
N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide has a molecular weight of 492.62 g/mol, XLogP of 7.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[2-(3-acetamido-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 70601262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).