N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide

C25H34N2O8 — CID 11752201

IUPACN-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide
SMILESCOCOc1ccc(CCC(=O)N(C)OC)cc1Oc1ccc(CCC(=O)N(C)OC)cc1OC
InChIInChI=1S/C25H34N2O8/c1-26(32-5)24(28)13-9-18-8-12-21(22(15-18)31-4)35-23-16-19(7-11-20(23)34-17-30-3)10-14-25(29)27(2)33-6/h7-8,11-12,15-16H,9-10,13-14,17H2,1-6H3
InChIKeyIMQRFNDOCYFGKV-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.38
Rot. Bonds14

About N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide

N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide (PubChem CID 11752201) has the molecular formula C25H34N2O8 and a molecular weight of 490.55 g/mol. Its IUPAC name is N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide
PubChem CID11752201
Molecular FormulaC25H34N2O8
Molecular Weight490.55 g/mol
Exact Mass490.23
IUPAC NameN-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide
SMILESCOCOc1ccc(CCC(=O)N(C)OC)cc1Oc1ccc(CCC(=O)N(C)OC)cc1OC
InChIInChI=1S/C25H34N2O8/c1-26(32-5)24(28)13-9-18-8-12-21(22(15-18)31-4)35-23-16-19(7-11-20(23)34-17-30-3)10-14-25(29)27(2)33-6/h7-8,11-12,15-16H,9-10,13-14,17H2,1-6H3
InChIKeyIMQRFNDOCYFGKV-UHFFFAOYSA-N
XLogP3.38
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide
CID 55027623
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-[3-methoxy-4-(methoxymethoxy)phenyl]-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
CID 19816115
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200872
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
CID 68603609
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]propanoic acid
CID 22681315

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide?
The IUPAC name of N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide (CID 11752201) is N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide?
The canonical SMILES for N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide is COCOc1ccc(CCC(=O)N(C)OC)cc1Oc1ccc(CCC(=O)N(C)OC)cc1OC.
What is the InChIKey of N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide?
The InChIKey is IMQRFNDOCYFGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O8/c1-26(32-5)24(28)13-9-18-8-12-21(22(15-18)31-4)35-23-16-19(7-11-20(23)34-17-30-3)10-14-25(29)27(2)33-6/h7-8,11-12,15-16H,9-10,13-14,17H2,1-6H3.
What are the key properties of N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide?
N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide has a molecular weight of 490.55 g/mol, XLogP of 3.38, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide is sourced from PubChem (CID 11752201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).