5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide

C10H18ClNO2 — CID 66006731

IUPAC5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide
SMILESO=C(CCCCCl)NCC1CC(O)C1
InChIInChI=1S/C10H18ClNO2/c11-4-2-1-3-10(14)12-7-8-5-9(13)6-8/h8-9,13H,1-7H2,(H,12,14)
InChIKeyJVRJDXUOMISLLX-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.28
Rot. Bonds6

About 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide

5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide (PubChem CID 66006731) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide
PubChem CID66006731
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide
SMILESO=C(CCCCCl)NCC1CC(O)C1
InChIInChI=1S/C10H18ClNO2/c11-4-2-1-3-10(14)12-7-8-5-9(13)6-8/h8-9,13H,1-7H2,(H,12,14)
InChIKeyJVRJDXUOMISLLX-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.28
H-Bond Donors ≤ 52
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

5-chloro-N-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 79192566
2-amino-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005079
3-(ethylamino)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66005719
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
6-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylhexanamide
CID 66005084
6-amino-N-[(3-hydroxycyclobutyl)methyl]-4,4-dimethylhexanamide
CID 66007023
3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66004697
(3-hydroxycyclobutyl)methylurea
CID 66005226

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide (CID 66006731) is 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide is O=C(CCCCCl)NCC1CC(O)C1.
What is the InChIKey of 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide?
The InChIKey is JVRJDXUOMISLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c11-4-2-1-3-10(14)12-7-8-5-9(13)6-8/h8-9,13H,1-7H2,(H,12,14).
What are the key properties of 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide?
5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide has a molecular weight of 219.71 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide is sourced from PubChem (CID 66006731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).