2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide

C20H24N4O4 — CID 55697379

IUPAC2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(NC(=O)NCc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-3-21-19(26)13-28-18-9-7-16(8-10-18)24-20(27)22-12-15-5-4-6-17(11-15)23-14(2)25/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeyGWHPHAXLNAUDFE-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.48
Rot. Bonds8

About 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide

2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide (PubChem CID 55697379) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide
PubChem CID55697379
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(NC(=O)NCc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-3-21-19(26)13-28-18-9-7-16(8-10-18)24-20(27)22-12-15-5-4-6-17(11-15)23-14(2)25/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeyGWHPHAXLNAUDFE-UHFFFAOYSA-N
XLogP2.48
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108934485
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
CID 99783925
1-[[3-(propan-2-ylamino)phenyl]methyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]urea
CID 167776675
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
4-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]butanoic acid
CID 122075495
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide (CID 55697379) is 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(NC(=O)NCc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide?
The InChIKey is GWHPHAXLNAUDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-21-19(26)13-28-18-9-7-16(8-10-18)24-20(27)22-12-15-5-4-6-17(11-15)23-14(2)25/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27).
What are the key properties of 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide?
2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide has a molecular weight of 384.44 g/mol, XLogP of 2.48, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 55697379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).