2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide

C15H19N3O3 — CID 62921910

IUPAC2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)Cc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H19N3O3/c16-14(20)10-18(11-15(17)21)9-13-6-4-12(5-7-13)3-1-2-8-19/h4-7,19H,2,8-11H2,(H2,16,20)(H2,17,21)
InChIKeyOELHYSYNBTZIQH-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.81
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide (PubChem CID 62921910) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide
PubChem CID62921910
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)Cc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H19N3O3/c16-14(20)10-18(11-15(17)21)9-13-6-4-12(5-7-13)3-1-2-8-19/h4-7,19H,2,8-11H2,(H2,16,20)(H2,17,21)
InChIKeyOELHYSYNBTZIQH-UHFFFAOYSA-N
XLogP-0.81
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide with MolForge

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Related Compounds

2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide
CID 103104040
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-N-methylthiadiazole-4-carboxamide
CID 65216344
4-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 81061615
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
4-[4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 115987076
1-ethyl-3-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]urea
CID 54966584
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1,3,3-trimethylurea
CID 79153083
N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62923888
2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 144663757

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide (CID 62921910) is 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide is NC(=O)CN(CC(N)=O)Cc1ccc(C#CCCO)cc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide?
The InChIKey is OELHYSYNBTZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-14(20)10-18(11-15(17)21)9-13-6-4-12(5-7-13)3-1-2-8-19/h4-7,19H,2,8-11H2,(H2,16,20)(H2,17,21).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide has a molecular weight of 289.34 g/mol, XLogP of -0.81, 7 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)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 62921910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).