N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide

C12H17N3O3 — CID 82358506

IUPACN-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCCO)cc1
InChIInChI=1S/C12H17N3O3/c1-9(17)14-10-2-4-11(5-3-10)15-12(18)8-13-6-7-16/h2-5,13,16H,6-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyBYGNWGUXVDYJMY-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.17
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide

N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide (PubChem CID 82358506) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
PubChem CID82358506
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCCO)cc1
InChIInChI=1S/C12H17N3O3/c1-9(17)14-10-2-4-11(5-3-10)15-12(18)8-13-6-7-16/h2-5,13,16H,6-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyBYGNWGUXVDYJMY-UHFFFAOYSA-N
XLogP0.17
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(2-hydroxyethylamino)acetyl]amino]benzoate
CID 82358503
N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide
CID 72696869
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
CID 106309850
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide (CID 82358506) is N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide is CC(=O)Nc1ccc(NC(=O)CNCCO)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide?
The InChIKey is BYGNWGUXVDYJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(17)14-10-2-4-11(5-3-10)15-12(18)8-13-6-7-16/h2-5,13,16H,6-8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide?
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide is sourced from PubChem (CID 82358506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).