N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid

C17H26N2O8 — CID 175652872

IUPACN-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid
SMILESCCOCCCNCC(=O)Nc1ccc(OC)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O4.C2H2O4/c1-4-21-9-5-8-16-11-15(18)17-13-7-6-12(19-2)10-14(13)20-3;3-1(4)2(5)6/h6-7,10,16H,4-5,8-9,11H2,1-3H3,(H,17,18);(H,3,4)(H,5,6)
InChIKeyDMZRWRYHLJOKIG-UHFFFAOYSA-N
MW386.40 g/mol
LogP0.81
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid

N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid (PubChem CID 175652872) has the molecular formula C17H26N2O8 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid
PubChem CID175652872
Molecular FormulaC17H26N2O8
Molecular Weight386.40 g/mol
Exact Mass386.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid
SMILESCCOCCCNCC(=O)Nc1ccc(OC)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O4.C2H2O4/c1-4-21-9-5-8-16-11-15(18)17-13-7-6-12(19-2)10-14(13)20-3;3-1(4)2(5)6/h6-7,10,16H,4-5,8-9,11H2,1-3H3,(H,17,18);(H,3,4)(H,5,6)
InChIKeyDMZRWRYHLJOKIG-UHFFFAOYSA-N
XLogP0.81
TPSA143.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82944054
N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
CID 54814780
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994082
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid (CID 175652872) is N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid is CCOCCCNCC(=O)Nc1ccc(OC)cc1OC.O=C(O)C(=O)O.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid?
The InChIKey is DMZRWRYHLJOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.C2H2O4/c1-4-21-9-5-8-16-11-15(18)17-13-7-6-12(19-2)10-14(13)20-3;3-1(4)2(5)6/h6-7,10,16H,4-5,8-9,11H2,1-3H3,(H,17,18);(H,3,4)(H,5,6).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid?
N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid has a molecular weight of 386.40 g/mol, XLogP of 0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid is sourced from PubChem (CID 175652872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).