3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide

C11H20ClNO2 — CID 63712064

IUPAC3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCC1CCOCC1
InChIInChI=1S/C11H20ClNO2/c1-11(2,8-12)10(14)13-7-9-3-5-15-6-4-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCVEIDELLPILSTD-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.79
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide

3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 63712064) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID63712064
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCC1CCOCC1
InChIInChI=1S/C11H20ClNO2/c1-11(2,8-12)10(14)13-7-9-3-5-15-6-4-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCVEIDELLPILSTD-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951227
3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanamide
CID 63680576
N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
CID 65025269
3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417691
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922
2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 62385844
2,2-dichloro-N-(cyclopropylmethyl)propanamide
CID 126988443
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
CID 106009639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide (CID 63712064) is 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide is CC(C)(CCl)C(=O)NCC1CCOCC1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is CVEIDELLPILSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-11(2,8-12)10(14)13-7-9-3-5-15-6-4-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 233.74 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 63712064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).