2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide

C20H24N4O5 — CID 55791205

IUPAC2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide
SMILESCOc1ccccc1NCC(=O)NNC(=O)c1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C20H24N4O5/c1-24(2)19(26)13-29-15-8-6-7-14(11-15)20(27)23-22-18(25)12-21-16-9-4-5-10-17(16)28-3/h4-11,21H,12-13H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyUQFYEBGQIVTDLD-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.04
Rot. Bonds8

About 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide

2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 55791205) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide
PubChem CID55791205
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide
SMILESCOc1ccccc1NCC(=O)NNC(=O)c1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C20H24N4O5/c1-24(2)19(26)13-29-15-8-6-7-14(11-15)20(27)23-22-18(25)12-21-16-9-4-5-10-17(16)28-3/h4-11,21H,12-13H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyUQFYEBGQIVTDLD-UHFFFAOYSA-N
XLogP1.04
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775627
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634332
3-[2-(dimethylamino)-2-oxoethoxy]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55770594
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775696
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide
CID 55831825
3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 86866211
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111047762

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide (CID 55791205) is 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide is COc1ccccc1NCC(=O)NNC(=O)c1cccc(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is UQFYEBGQIVTDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-24(2)19(26)13-29-15-8-6-7-14(11-15)20(27)23-22-18(25)12-21-16-9-4-5-10-17(16)28-3/h4-11,21H,12-13H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide?
2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 400.44 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 55791205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).