4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide

C10H18ClNO2 — CID 114629316

IUPAC4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
SMILESCC1(C)C(O)CC1NC(=O)CCCCl
InChIInChI=1S/C10H18ClNO2/c1-10(2)7(6-8(10)13)12-9(14)4-3-5-11/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyZLERRXXWZXAIOB-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.28
Rot. Bonds4

About 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide

4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide (PubChem CID 114629316) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
PubChem CID114629316
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
SMILESCC1(C)C(O)CC1NC(=O)CCCCl
InChIInChI=1S/C10H18ClNO2/c1-10(2)7(6-8(10)13)12-9(14)4-3-5-11/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyZLERRXXWZXAIOB-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
4-chloro-N-(2,2-dimethylcyclopropyl)butanamide
CID 63308432
3-(ethylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629835
3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629719
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114630658
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
CID 114630472
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629789
2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
CID 114628859
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114629305
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide
CID 103021218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide (CID 114629316) is 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide is CC1(C)C(O)CC1NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide?
The InChIKey is ZLERRXXWZXAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-10(2)7(6-8(10)13)12-9(14)4-3-5-11/h7-8,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide?
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide has a molecular weight of 219.71 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide is sourced from PubChem (CID 114629316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).