N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide

C11H21ClN2O2 — CID 43470678

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCCl
InChIInChI=1S/C11H21ClN2O2/c1-5-14(10(16)6-7-12)8-9(15)13-11(2,3)4/h5-8H2,1-4H3,(H,13,15)
InChIKeyGKKSTVWUWKYVHB-UHFFFAOYSA-N
MW248.75 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide (PubChem CID 43470678) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide
PubChem CID43470678
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCCl
InChIInChI=1S/C11H21ClN2O2/c1-5-14(10(16)6-7-12)8-9(15)13-11(2,3)4/h5-8H2,1-4H3,(H,13,15)
InChIKeyGKKSTVWUWKYVHB-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide (CID 43470678) is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide is CCN(CC(=O)NC(C)(C)C)C(=O)CCCl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide?
The InChIKey is GKKSTVWUWKYVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2/c1-5-14(10(16)6-7-12)8-9(15)13-11(2,3)4/h5-8H2,1-4H3,(H,13,15).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide has a molecular weight of 248.75 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-ethylpropanamide is sourced from PubChem (CID 43470678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).