5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide

C12H23ClN2O2 — CID 54875454

IUPAC5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CCCCCl
InChIInChI=1S/C12H23ClN2O2/c1-4-15(5-2)12(17)10-14(3)11(16)8-6-7-9-13/h4-10H2,1-3H3
InChIKeyJIMKIPXIJSDCML-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.72
Rot. Bonds8

About 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide (PubChem CID 54875454) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
PubChem CID54875454
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CCCCCl
InChIInChI=1S/C12H23ClN2O2/c1-4-15(5-2)12(17)10-14(3)11(16)8-6-7-9-13/h4-10H2,1-3H3
InChIKeyJIMKIPXIJSDCML-UHFFFAOYSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
CID 60693102
1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride
CID 175329155
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
CID 116815382
3-cyclopentyl-N-[2-(diethylamino)-2-oxoethyl]-N-methylpropanamide
CID 86908098
5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989
N-butan-2-yl-5-chloro-N-ethylpentanamide
CID 43274439
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide (CID 54875454) is 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide is CCN(CC)C(=O)CN(C)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide?
The InChIKey is JIMKIPXIJSDCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2/c1-4-15(5-2)12(17)10-14(3)11(16)8-6-7-9-13/h4-10H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide?
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide has a molecular weight of 262.78 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 54875454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).