3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

C9H17ClN2O2 — CID 62729229

IUPAC3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)C(C)CCl
InChIInChI=1S/C9H17ClN2O2/c1-3-4-11-8(13)6-12-9(14)7(2)5-10/h7H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyXRAGDTHNEVIHHT-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.50
Rot. Bonds6

About 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 62729229) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID62729229
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)C(C)CCl
InChIInChI=1S/C9H17ClN2O2/c1-3-4-11-8(13)6-12-9(14)7(2)5-10/h7H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyXRAGDTHNEVIHHT-UHFFFAOYSA-N
XLogP0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 62669389
2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 43567046
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
CID 62728851
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
2-iodo-N-propylpropanamide
CID 64787589
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 62729229) is 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is XRAGDTHNEVIHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-3-4-11-8(13)6-12-9(14)7(2)5-10/h7H,3-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 220.70 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 62729229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).