N-(3-chloropropyl)-N-cyclobutylbutanamide

C11H20ClNO — CID 102872148

IUPACN-(3-chloropropyl)-N-cyclobutylbutanamide
SMILESCCCC(=O)N(CCCCl)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-2-5-11(14)13(9-4-8-12)10-6-3-7-10/h10H,2-9H2,1H3
InChIKeyTZLXIDPEVRAOJF-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.80
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutylbutanamide

N-(3-chloropropyl)-N-cyclobutylbutanamide (PubChem CID 102872148) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutylbutanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutylbutanamide
PubChem CID102872148
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(3-chloropropyl)-N-cyclobutylbutanamide
SMILESCCCC(=O)N(CCCCl)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-2-5-11(14)13(9-4-8-12)10-6-3-7-10/h10H,2-9H2,1H3
InChIKeyTZLXIDPEVRAOJF-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxyacetamide
CID 102871906
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
4-chloro-N-cyclohexyl-N-ethylbutanamide
CID 13048749
N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212868
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
3-chloro-N-cyclopentyl-N-ethylpropanamide
CID 43541097
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutylbutanamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutylbutanamide (CID 102872148) is N-(3-chloropropyl)-N-cyclobutylbutanamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutylbutanamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutylbutanamide is CCCC(=O)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutylbutanamide?
The InChIKey is TZLXIDPEVRAOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-2-5-11(14)13(9-4-8-12)10-6-3-7-10/h10H,2-9H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutylbutanamide?
N-(3-chloropropyl)-N-cyclobutylbutanamide has a molecular weight of 217.74 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutylbutanamide is sourced from PubChem (CID 102872148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).