3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide

C11H21ClN2O3 — CID 82111014

IUPAC3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCCNC(=O)CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C11H21ClN2O3/c1-11(2,8-12)10(16)14-5-4-9(15)13-6-7-17-3/h4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyJZYVGUNTYLBCHQ-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.52
Rot. Bonds8

About 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide

3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 82111014) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID82111014
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Name3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCCNC(=O)CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C11H21ClN2O3/c1-11(2,8-12)10(16)14-5-4-9(15)13-6-7-17-3/h4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyJZYVGUNTYLBCHQ-UHFFFAOYSA-N
XLogP0.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 82111014) is 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide is COCCNC(=O)CCNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is JZYVGUNTYLBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O3/c1-11(2,8-12)10(16)14-5-4-9(15)13-6-7-17-3/h4-8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 264.75 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82111014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).