N-butan-2-yl-5-chloro-N-ethylpentanamide

C11H22ClNO — CID 43274439

IUPACN-butan-2-yl-5-chloro-N-ethylpentanamide
SMILESCCC(C)N(CC)C(=O)CCCCCl
InChIInChI=1S/C11H22ClNO/c1-4-10(3)13(5-2)11(14)8-6-7-9-12/h10H,4-9H2,1-3H3
InChIKeyLSYJEQLURCEHDV-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.04
Rot. Bonds7

About N-butan-2-yl-5-chloro-N-ethylpentanamide

N-butan-2-yl-5-chloro-N-ethylpentanamide (PubChem CID 43274439) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-N-ethylpentanamide.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-N-ethylpentanamide
PubChem CID43274439
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-butan-2-yl-5-chloro-N-ethylpentanamide
SMILESCCC(C)N(CC)C(=O)CCCCCl
InChIInChI=1S/C11H22ClNO/c1-4-10(3)13(5-2)11(14)8-6-7-9-12/h10H,4-9H2,1-3H3
InChIKeyLSYJEQLURCEHDV-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
CID 43578807
N-ethyl-N-(1-hydroxyethyl)hexanamide
CID 174417992
N-butan-2-yl-N-ethyl-3-oxobutanamide
CID 43274631
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
CID 54875454
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
N-butan-2-yl-N-ethylcarbamoyl bromide
CID 140982150
3-[4-aminobutanoyl(ethyl)amino]butanoic acid
CID 62826769
5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965888

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-N-ethylpentanamide?
The IUPAC name of N-butan-2-yl-5-chloro-N-ethylpentanamide (CID 43274439) is N-butan-2-yl-5-chloro-N-ethylpentanamide.
What is the SMILES notation for N-butan-2-yl-5-chloro-N-ethylpentanamide?
The canonical SMILES for N-butan-2-yl-5-chloro-N-ethylpentanamide is CCC(C)N(CC)C(=O)CCCCCl.
What is the InChIKey of N-butan-2-yl-5-chloro-N-ethylpentanamide?
The InChIKey is LSYJEQLURCEHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-10(3)13(5-2)11(14)8-6-7-9-12/h10H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-5-chloro-N-ethylpentanamide?
N-butan-2-yl-5-chloro-N-ethylpentanamide has a molecular weight of 219.76 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-N-ethylpentanamide is sourced from PubChem (CID 43274439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).