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

C12H17N3O3 — CID 79463401

IUPACN-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C12H17N3O3/c1-9(16)14-10-2-4-11(5-3-10)15-12(17)8-18-7-6-13/h2-5H,6-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyNUHYMQBMRMUEAH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.56
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide (PubChem CID 79463401) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
PubChem CID79463401
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COCCN)cc1
InChIInChI=1S/C12H17N3O3/c1-9(16)14-10-2-4-11(5-3-10)15-12(17)8-18-7-6-13/h2-5H,6-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyNUHYMQBMRMUEAH-UHFFFAOYSA-N
XLogP0.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.56
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

ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
2-(2-aminoethoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 79473221
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
CID 106911779
2-(2-aminoethoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 79473739
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103808701
2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
CID 79478578
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide (CID 79463401) is N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide is CC(=O)Nc1ccc(NC(=O)COCCN)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide?
The InChIKey is NUHYMQBMRMUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(16)14-10-2-4-11(5-3-10)15-12(17)8-18-7-6-13/h2-5H,6-8,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide?
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide is sourced from PubChem (CID 79463401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).