2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide

C11H17ClN2O3 — CID 140509085

IUPAC2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide
SMILESC#CC(C(=O)CCl)N(CC(N)=O)OC(C)(C)C
InChIInChI=1S/C11H17ClN2O3/c1-5-8(9(15)6-12)14(7-10(13)16)17-11(2,3)4/h1,8H,6-7H2,2-4H3,(H2,13,16)
InChIKeyLAQYBZMYIJIEIA-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.31
Rot. Bonds6

About 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide

2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide (PubChem CID 140509085) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide
PubChem CID140509085
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide
SMILESC#CC(C(=O)CCl)N(CC(N)=O)OC(C)(C)C
InChIInChI=1S/C11H17ClN2O3/c1-5-8(9(15)6-12)14(7-10(13)16)17-11(2,3)4/h1,8H,6-7H2,2-4H3,(H2,13,16)
InChIKeyLAQYBZMYIJIEIA-UHFFFAOYSA-N
XLogP0.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 10899803
(2S)-4-chloro-2-methyl-N-[(2-methylpropan-2-yl)oxy]-3-oxobutanamide
CID 141088676
tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
2-[(2-chloroacetyl)-methylamino]acetamide
CID 19981542
tert-butyl N-(4-chloro-3-oxobutan-2-yl)-N-methylcarbamate
CID 104701196
N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide
CID 63680724
1-chloro-3-methoxy-3-methylbutan-2-one
CID 12922156
[(2R)-1,1,1-trichloro-2-methylpent-4-yn-2-yl] carbamate
CID 95562042
2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
CID 60969370
N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide
CID 103101636
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide?
The IUPAC name of 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide (CID 140509085) is 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide.
What is the SMILES notation for 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide?
The canonical SMILES for 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide is C#CC(C(=O)CCl)N(CC(N)=O)OC(C)(C)C.
What is the InChIKey of 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide?
The InChIKey is LAQYBZMYIJIEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c1-5-8(9(15)6-12)14(7-10(13)16)17-11(2,3)4/h1,8H,6-7H2,2-4H3,(H2,13,16).
What are the key properties of 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide?
2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide has a molecular weight of 260.72 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide is sourced from PubChem (CID 140509085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).