N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide

C29H31FN4O5 — CID 45171408

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3ccc(F)cc3)cc2CN(C)Cc2nonc2C)cc1OC
InChIInChI=1S/C29H31FN4O5/c1-19-25(33-39-32-19)17-34(2)16-23-14-22(21-6-9-24(30)10-7-21)8-12-26(23)38-18-29(35)31-15-20-5-11-27(36-3)28(13-20)37-4/h5-14H,15-18H2,1-4H3,(H,31,35)
InChIKeyOCNYXVMRTLQVJP-UHFFFAOYSA-N
MW534.59 g/mol
LogP4.53
Rot. Bonds12

About N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide (PubChem CID 45171408) has the molecular formula C29H31FN4O5 and a molecular weight of 534.59 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide
PubChem CID45171408
Molecular FormulaC29H31FN4O5
Molecular Weight534.59 g/mol
Exact Mass534.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3ccc(F)cc3)cc2CN(C)Cc2nonc2C)cc1OC
InChIInChI=1S/C29H31FN4O5/c1-19-25(33-39-32-19)17-34(2)16-23-14-22(21-6-9-24(30)10-7-21)8-12-26(23)38-18-29(35)31-15-20-5-11-27(36-3)28(13-20)37-4/h5-14H,15-18H2,1-4H3,(H,31,35)
InChIKeyOCNYXVMRTLQVJP-UHFFFAOYSA-N
XLogP4.53
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide 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-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide
CID 45235799
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-[2-[(dimethylamino)methyl]-4-phenylphenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42481778
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544260
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
3-[3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 135872140
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide (CID 45171408) is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide is COc1ccc(CNC(=O)COc2ccc(-c3ccc(F)cc3)cc2CN(C)Cc2nonc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide?
The InChIKey is OCNYXVMRTLQVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O5/c1-19-25(33-39-32-19)17-34(2)16-23-14-22(21-6-9-24(30)10-7-21)8-12-26(23)38-18-29(35)31-15-20-5-11-27(36-3)28(13-20)37-4/h5-14H,15-18H2,1-4H3,(H,31,35).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide has a molecular weight of 534.59 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 45171408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).