N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide

C14H26ClNO — CID 55187212

IUPACN-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCCl)C(=O)CCC1CCCC1
InChIInChI=1S/C14H26ClNO/c1-12(2)16(11-5-10-15)14(17)9-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3
InChIKeyWXWMFOKGJGXDKN-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.82
Rot. Bonds7

About N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide

N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide (PubChem CID 55187212) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide
PubChem CID55187212
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCCl)C(=O)CCC1CCCC1
InChIInChI=1S/C14H26ClNO/c1-12(2)16(11-5-10-15)14(17)9-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3
InChIKeyWXWMFOKGJGXDKN-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
The IUPAC name of N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide (CID 55187212) is N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide is CC(C)N(CCCCl)C(=O)CCC1CCCC1.
What is the InChIKey of N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
The InChIKey is WXWMFOKGJGXDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-12(2)16(11-5-10-15)14(17)9-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide?
N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide has a molecular weight of 259.82 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 55187212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).