N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide

C12H18N2O4 — CID 21453600

IUPACN-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1NCC(O)O
InChIInChI=1S/C12H18N2O4/c1-3-18-11-5-4-9(14-8(2)15)6-10(11)13-7-12(16)17/h4-6,12-13,16-17H,3,7H2,1-2H3,(H,14,15)
InChIKeyYMDJUIKUBIXYPS-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.77
Rot. Bonds6

About N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide

N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide (PubChem CID 21453600) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
PubChem CID21453600
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1NCC(O)O
InChIInChI=1S/C12H18N2O4/c1-3-18-11-5-4-9(14-8(2)15)6-10(11)13-7-12(16)17/h4-6,12-13,16-17H,3,7H2,1-2H3,(H,14,15)
InChIKeyYMDJUIKUBIXYPS-UHFFFAOYSA-N
XLogP0.77
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide
CID 21325792
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514063
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 51699027
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide
CID 112514082
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide?
The IUPAC name of N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide (CID 21453600) is N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide?
The canonical SMILES for N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(C)=O)cc1NCC(O)O.
What is the InChIKey of N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide?
The InChIKey is YMDJUIKUBIXYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-18-11-5-4-9(14-8(2)15)6-10(11)13-7-12(16)17/h4-6,12-13,16-17H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide?
N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.77, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 21453600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).