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

C9H18ClNO2 — CID 106182519

IUPACN-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
SMILESCOCC(CCl)NC(=O)C(C)(C)C
InChIInChI=1S/C9H18ClNO2/c1-9(2,3)8(12)11-7(5-10)6-13-4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyDTKRQVXJIZGQKR-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.40
Rot. Bonds4

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

N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide (PubChem CID 106182519) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
PubChem CID106182519
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
SMILESCOCC(CCl)NC(=O)C(C)(C)C
InChIInChI=1S/C9H18ClNO2/c1-9(2,3)8(12)11-7(5-10)6-13-4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyDTKRQVXJIZGQKR-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide
CID 106182300
N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
CID 106183361
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
CID 106182256
N-(4-chlorobutan-2-yl)-2,2-dimethylpropanamide
CID 83178433
N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
CID 106180770
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
N-(1-chloro-3-methoxypropan-2-yl)-3-methyladamantane-1-carboxamide
CID 106182954
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide (CID 106182519) is N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide is COCC(CCl)NC(=O)C(C)(C)C.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is DTKRQVXJIZGQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-9(2,3)8(12)11-7(5-10)6-13-4/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide?
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 207.70 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 106182519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).