N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

C18H19N3O5 — CID 108529375

IUPACN'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C18H19N3O5/c1-25-12-6-8-13(9-7-12)26-11-10-20-17(23)18(24)21-16(22)14-4-2-3-5-15(14)19/h2-9H,10-11,19H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHVHNOEFSAWQHJL-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.73
Rot. Bonds6

About N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (PubChem CID 108529375) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
PubChem CID108529375
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C18H19N3O5/c1-25-12-6-8-13(9-7-12)26-11-10-20-17(23)18(24)21-16(22)14-4-2-3-5-15(14)19/h2-9H,10-11,19H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHVHNOEFSAWQHJL-UHFFFAOYSA-N
XLogP0.73
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692
3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 28713819
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenoxy)ethylamino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100556040
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The IUPAC name of N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (CID 108529375) is N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.
What is the SMILES notation for N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The canonical SMILES for N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is COc1ccc(OCCNC(=O)C(=O)NC(=O)c2ccccc2N)cc1.
What is the InChIKey of N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The InChIKey is HVHNOEFSAWQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-12-6-8-13(9-7-12)26-11-10-20-17(23)18(24)21-16(22)14-4-2-3-5-15(14)19/h2-9H,10-11,19H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide has a molecular weight of 357.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is sourced from PubChem (CID 108529375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).