N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide

C13H20N4O4 — CID 119779724

IUPACN-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(NC(N)=O)c(OC)c1
InChIInChI=1S/C13H20N4O4/c1-20-6-5-15-8-12(18)16-9-3-4-10(17-13(14)19)11(7-9)21-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H3,14,17,19)
InChIKeyPUPKBNWABHQDOE-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.36
Rot. Bonds8

About N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide

N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119779724) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119779724
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(NC(N)=O)c(OC)c1
InChIInChI=1S/C13H20N4O4/c1-20-6-5-15-8-12(18)16-9-3-4-10(17-13(14)19)11(7-9)21-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H3,14,17,19)
InChIKeyPUPKBNWABHQDOE-UHFFFAOYSA-N
XLogP0.36
TPSA114.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711591
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide (CID 119779724) is N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(NC(N)=O)c(OC)c1.
What is the InChIKey of N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is PUPKBNWABHQDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-20-6-5-15-8-12(18)16-9-3-4-10(17-13(14)19)11(7-9)21-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H3,14,17,19).
What are the key properties of N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide?
N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 296.33 g/mol, XLogP of 0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119779724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).