3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide

C10H19ClN2O2 — CID 62727427

IUPAC3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)NC)C(=O)C(C)CCl
InChIInChI=1S/C10H19ClN2O2/c1-4-5-13(7-9(14)12-3)10(15)8(2)6-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyCSFFLOVFIWYOLE-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.85
Rot. Bonds6

About 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide

3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide (PubChem CID 62727427) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
PubChem CID62727427
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)NC)C(=O)C(C)CCl
InChIInChI=1S/C10H19ClN2O2/c1-4-5-13(7-9(14)12-3)10(15)8(2)6-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyCSFFLOVFIWYOLE-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.85
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

(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
CID 54985265
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-(methylamino)-N-propylpropanamide
CID 79202204
ethyl 3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]butanoate
CID 116537910
2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 62473775
2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide
CID 76925117
2-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62848178

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide (CID 62727427) is 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)NC)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
The InChIKey is CSFFLOVFIWYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-4-5-13(7-9(14)12-3)10(15)8(2)6-11/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide has a molecular weight of 234.73 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 62727427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).