N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C29H32FNO5 — CID 42428933

IUPACN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C29H32FNO5/c1-33-27-13-12-23(18-28(27)34-2)29(32)31(20-25-10-6-15-35-25)19-21-7-5-9-24(17-21)36-16-14-22-8-3-4-11-26(22)30/h3-5,7-9,11-13,17-18,25H,6,10,14-16,19-20H2,1-2H3/t25-/m0/s1
InChIKeyFPFAXQHBYWTZNZ-VWLOTQADSA-N
MW493.58 g/mol
LogP5.29
Rot. Bonds11

About N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 42428933) has the molecular formula C29H32FNO5 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID42428933
Molecular FormulaC29H32FNO5
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC NameN-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C29H32FNO5/c1-33-27-13-12-23(18-28(27)34-2)29(32)31(20-25-10-6-15-35-25)19-21-7-5-9-24(17-21)36-16-14-22-8-3-4-11-26(22)30/h3-5,7-9,11-13,17-18,25H,6,10,14-16,19-20H2,1-2H3/t25-/m0/s1
InChIKeyFPFAXQHBYWTZNZ-VWLOTQADSA-N
XLogP5.29
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.58
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide 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

N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45228794
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45220485
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26342194
2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42238955
3-(3,5-dimethylpyrazol-1-yl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 45248080
2,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26317458
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42501340
2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26334698
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
4-ethoxy-N-[(3-methoxyphenyl)methyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 48523603

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 42428933) is N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccc(C(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@@H]2CCCO2)cc1OC.
What is the InChIKey of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is FPFAXQHBYWTZNZ-VWLOTQADSA-N. The full InChI is InChI=1S/C29H32FNO5/c1-33-27-13-12-23(18-28(27)34-2)29(32)31(20-25-10-6-15-35-25)19-21-7-5-9-24(17-21)36-16-14-22-8-3-4-11-26(22)30/h3-5,7-9,11-13,17-18,25H,6,10,14-16,19-20H2,1-2H3/t25-/m0/s1.
What are the key properties of N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 493.58 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 42428933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).