N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide

C9H18ClNO2 — CID 10899803

IUPACN-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ON(Cl)C(=O)C(C)(C)C
InChIInChI=1S/C9H18ClNO2/c1-8(2,3)7(12)11(10)13-9(4,5)6/h1-6H3
InChIKeyXHZHISMUIPPXKZ-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.74
Rot. Bonds1

About N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide

N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 10899803) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID10899803
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC NameN-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ON(Cl)C(=O)C(C)(C)C
InChIInChI=1S/C9H18ClNO2/c1-8(2,3)7(12)11(10)13-9(4,5)6/h1-6H3
InChIKeyXHZHISMUIPPXKZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-N,N,2-trimethylpropanamide
CID 142784953
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
N-ethyl-2,2-dimethylpropanehydrazide
CID 56982363
N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide
CID 79019595
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
2-[(5-chloro-4-oxopent-1-yn-3-yl)-[(2-methylpropan-2-yl)oxy]amino]acetamide
CID 140509085
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464
2,2-dimethyl-N-silyl-N-trimethylsilylpropanamide
CID 123138128
2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane
CID 174399036
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255

Frequently Asked Questions

What is the IUPAC name of N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 10899803) is N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)ON(Cl)C(=O)C(C)(C)C.
What is the InChIKey of N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is XHZHISMUIPPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8(2,3)7(12)11(10)13-9(4,5)6/h1-6H3.
What are the key properties of N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 207.70 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 10899803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).