2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide

C12H17N3O3 — CID 82980145

IUPAC2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
SMILESCC(c1ccccc1O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17N3O3/c1-8(9-4-2-3-5-10(9)16)15(6-11(13)17)7-12(14)18/h2-5,8,16H,6-7H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyUKRTZFVIZDGNAC-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.27
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide (PubChem CID 82980145) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
PubChem CID82980145
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
SMILESCC(c1ccccc1O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17N3O3/c1-8(9-4-2-3-5-10(9)16)15(6-11(13)17)7-12(14)18/h2-5,8,16H,6-7H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyUKRTZFVIZDGNAC-UHFFFAOYSA-N
XLogP-0.27
TPSA109.65 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 ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide
CID 82979371
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
CID 82978176
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
CID 103101337
2-[[2-amino-1-(2-methylphenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018380

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide (CID 82980145) is 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide is CC(c1ccccc1O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide?
The InChIKey is UKRTZFVIZDGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(9-4-2-3-5-10(9)16)15(6-11(13)17)7-12(14)18/h2-5,8,16H,6-7H2,1H3,(H2,13,17)(H2,14,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 82980145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).