N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide

C10H19ClN2O2 — CID 2113270

IUPACN-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCl
InChIInChI=1S/C10H19ClN2O2/c1-5-13(9(15)6-11)7-8(14)12-10(2,3)4/h5-7H2,1-4H3,(H,12,14)
InChIKeyURLPIADPWGEVNM-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.99
Rot. Bonds4

About N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide

N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide (PubChem CID 2113270) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
PubChem CID2113270
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC NameN-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCl
InChIInChI=1S/C10H19ClN2O2/c1-5-13(9(15)6-11)7-8(14)12-10(2,3)4/h5-7H2,1-4H3,(H,12,14)
InChIKeyURLPIADPWGEVNM-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 78790706
N-tert-butyl-N',N'-diethylpropanediamide
CID 108951053
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide
CID 111331751
N-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 24546452
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 132888355
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide
CID 35361318
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide
CID 113160459
N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 55770776
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741
N-tert-butyl-2-(diethylcarbamoylamino)acetamide
CID 115575873

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide (CID 2113270) is N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)CCl.
What is the InChIKey of N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide?
The InChIKey is URLPIADPWGEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-5-13(9(15)6-11)7-8(14)12-10(2,3)4/h5-7H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide?
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide has a molecular weight of 234.73 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide is sourced from PubChem (CID 2113270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).