3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide

C9H18ClNO2 — CID 63681278

IUPAC3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
SMILESCOCC(C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C9H18ClNO2/c1-7(5-13-4)11-8(12)9(2,3)6-10/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyFBNIAZDHEGUAOV-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.40
Rot. Bonds5

About 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide

3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide (PubChem CID 63681278) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
PubChem CID63681278
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
SMILESCOCC(C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C9H18ClNO2/c1-7(5-13-4)11-8(12)9(2,3)6-10/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyFBNIAZDHEGUAOV-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide (CID 63681278) is 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide is COCC(C)NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is FBNIAZDHEGUAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-7(5-13-4)11-8(12)9(2,3)6-10/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide?
3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 207.70 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 63681278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).