bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone

C33H36N2O3 — CID 90685991

IUPACbis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
SMILESCN(CCOc1ccc(C(=O)c2ccc(OCCN(C)Cc3ccccc3)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-34(25-27-9-5-3-6-10-27)21-23-37-31-17-13-29(14-18-31)33(36)30-15-19-32(20-16-30)38-24-22-35(2)26-28-11-7-4-8-12-28/h3-20H,21-26H2,1-2H3
InChIKeyTWMVWRFVLGUEGV-UHFFFAOYSA-N
MW508.66 g/mol
LogP5.94
Rot. Bonds14

About bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone

bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone (PubChem CID 90685991) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
PubChem CID90685991
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC Namebis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
SMILESCN(CCOc1ccc(C(=O)c2ccc(OCCN(C)Cc3ccccc3)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-34(25-27-9-5-3-6-10-27)21-23-37-31-17-13-29(14-18-31)33(36)30-15-19-32(20-16-30)38-24-22-35(2)26-28-11-7-4-8-12-28/h3-20H,21-26H2,1-2H3
InChIKeyTWMVWRFVLGUEGV-UHFFFAOYSA-N
XLogP5.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-chloropropoxy)phenyl]methanone
CID 53231147
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 53231551
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 53231345
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
[4-[3-[methyl(octadecyl)amino]propoxy]phenyl]-phenylmethanone
CID 118461102
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619

Frequently Asked Questions

What is the IUPAC name of bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone?
The IUPAC name of bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone (CID 90685991) is bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone.
What is the SMILES notation for bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone?
The canonical SMILES for bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone is CN(CCOc1ccc(C(=O)c2ccc(OCCN(C)Cc3ccccc3)cc2)cc1)Cc1ccccc1.
What is the InChIKey of bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone?
The InChIKey is TWMVWRFVLGUEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3/c1-34(25-27-9-5-3-6-10-27)21-23-37-31-17-13-29(14-18-31)33(36)30-15-19-32(20-16-30)38-24-22-35(2)26-28-11-7-4-8-12-28/h3-20H,21-26H2,1-2H3.
What are the key properties of bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone?
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone has a molecular weight of 508.66 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone is sourced from PubChem (CID 90685991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).