(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide

C10H19ClN2O2 — CID 93317901

IUPAC(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
SMILESC[C@@H](Cl)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H19ClN2O2/c1-7(11)9(15)13(5)6-8(14)12-10(2,3)4/h7H,6H2,1-5H3,(H,12,14)/t7-/m1/s1
InChIKeyHNEVNGRBUCTRCZ-SSDOTTSWSA-N
MW234.73 g/mol
LogP0.99
Rot. Bonds3

About (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide

(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide (PubChem CID 93317901) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
PubChem CID93317901
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
SMILESC[C@@H](Cl)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H19ClN2O2/c1-7(11)9(15)13(5)6-8(14)12-10(2,3)4/h7H,6H2,1-5H3,(H,12,14)/t7-/m1/s1
InChIKeyHNEVNGRBUCTRCZ-SSDOTTSWSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-methyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985517
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 99643676
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 51327712
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732251
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151195
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
CID 112725202
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8768055
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
CID 51726123
(Z)-4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55167926

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide?
The IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide (CID 93317901) is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide.
What is the SMILES notation for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide?
The canonical SMILES for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide is C[C@@H](Cl)C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide?
The InChIKey is HNEVNGRBUCTRCZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-7(11)9(15)13(5)6-8(14)12-10(2,3)4/h7H,6H2,1-5H3,(H,12,14)/t7-/m1/s1.
What are the key properties of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide?
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide has a molecular weight of 234.73 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide is sourced from PubChem (CID 93317901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).