2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide

C15H23N3O4 — CID 47078303

IUPAC2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
SMILESCCOCCOC(C)C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C15H23N3O4/c1-4-21-9-10-22-11(2)14(19)17-12-5-7-13(8-6-12)18-15(20)16-3/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyXAMZPGGYSHHFKY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.82
Rot. Bonds8

About 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide

2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide (PubChem CID 47078303) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
PubChem CID47078303
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
SMILESCCOCCOC(C)C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C15H23N3O4/c1-4-21-9-10-22-11(2)14(19)17-12-5-7-13(8-6-12)18-15(20)16-3/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyXAMZPGGYSHHFKY-UHFFFAOYSA-N
XLogP1.82
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176751
(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 94033094
(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide
CID 94678339
(2R)-2-(2-ethoxyethoxy)-N-(1-ethylindol-5-yl)propanamide
CID 94389998
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546063
N-[4-(2-ethoxyethoxy)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17130597
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
2-bromo-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 107903873
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
(2R)-N-(3-acetamido-2-pyridinyl)-2-(2-ethoxyethoxy)propanamide
CID 97352364

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide (CID 47078303) is 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide is CCOCCOC(C)C(=O)Nc1ccc(NC(=O)NC)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
The InChIKey is XAMZPGGYSHHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-21-9-10-22-11(2)14(19)17-12-5-7-13(8-6-12)18-15(20)16-3/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H2,16,18,20).
What are the key properties of 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 47078303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).