3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C11H21ClN2O2 — CID 63679818

IUPAC3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CN(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H21ClN2O2/c1-8(2)13-9(15)6-14(5)10(16)11(3,4)7-12/h8H,6-7H2,1-5H3,(H,13,15)
InChIKeyUMSSIJLNTAJPJC-UHFFFAOYSA-N
MW248.75 g/mol
LogP1.23
Rot. Bonds5

About 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 63679818) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID63679818
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CN(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H21ClN2O2/c1-8(2)13-9(15)6-14(5)10(16)11(3,4)7-12/h8H,6-7H2,1-5H3,(H,13,15)
InChIKeyUMSSIJLNTAJPJC-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide
CID 63680724
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 63679192
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
CID 63680154
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
CID 79389813
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 63679818) is 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CC(C)NC(=O)CN(C)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is UMSSIJLNTAJPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2/c1-8(2)13-9(15)6-14(5)10(16)11(3,4)7-12/h8H,6-7H2,1-5H3,(H,13,15).
What are the key properties of 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 248.75 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 63679818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).