1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone

C37H35NO3 — CID 173192077

IUPAC1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone
SMILESO=C(Cc1cccc(OCc2ccccc2)c1)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C37H35NO3/c39-37(25-33-18-10-20-35(24-33)41-29-32-16-8-3-9-17-32)34-19-11-21-36(26-34)40-23-22-38(27-30-12-4-1-5-13-30)28-31-14-6-2-7-15-31/h1-21,24,26H,22-23,25,27-29H2
InChIKeyQCFIDHGEOBBGMU-UHFFFAOYSA-N
MW541.69 g/mol
LogP7.77
Rot. Bonds14

About 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone

1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone (PubChem CID 173192077) has the molecular formula C37H35NO3 and a molecular weight of 541.69 g/mol. Its IUPAC name is 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone
PubChem CID173192077
Molecular FormulaC37H35NO3
Molecular Weight541.69 g/mol
Exact Mass541.26
IUPAC Name1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone
SMILESO=C(Cc1cccc(OCc2ccccc2)c1)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C37H35NO3/c39-37(25-33-18-10-20-35(24-33)41-29-32-16-8-3-9-17-32)34-19-11-21-36(26-34)40-23-22-38(27-30-12-4-1-5-13-30)28-31-14-6-2-7-15-31/h1-21,24,26H,22-23,25,27-29H2
InChIKeyQCFIDHGEOBBGMU-UHFFFAOYSA-N
XLogP7.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-[[3-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(3-phenoxyphenyl)propanoic acid
CID 66912967
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[(4-bromophenyl)methyl-[[3-[2-(dibenzylamino)ethoxy]phenyl]methyl]amino]propanoic acid
CID 66912882
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 66913001
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone (CID 173192077) is 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone is O=C(Cc1cccc(OCc2ccccc2)c1)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone?
The InChIKey is QCFIDHGEOBBGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35NO3/c39-37(25-33-18-10-20-35(24-33)41-29-32-16-8-3-9-17-32)34-19-11-21-36(26-34)40-23-22-38(27-30-12-4-1-5-13-30)28-31-14-6-2-7-15-31/h1-21,24,26H,22-23,25,27-29H2.
What are the key properties of 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone?
1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone has a molecular weight of 541.69 g/mol, XLogP of 7.77, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 173192077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).