2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide

C9H18ClNO — CID 60809013

IUPAC2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
SMILESCC(C)CN(C(=O)CCl)C(C)C
InChIInChI=1S/C9H18ClNO/c1-7(2)6-11(8(3)4)9(12)5-10/h7-8H,5-6H2,1-4H3
InChIKeyNSOZCRVCADMVSW-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide

2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide (PubChem CID 60809013) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
PubChem CID60809013
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
SMILESCC(C)CN(C(=O)CCl)C(C)C
InChIInChI=1S/C9H18ClNO/c1-7(2)6-11(8(3)4)9(12)5-10/h7-8H,5-6H2,1-4H3
InChIKeyNSOZCRVCADMVSW-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
CID 141318691
N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
CID 79886811
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 23588339
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
2-(2-aminoethoxy)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 79473856
2-(1-aminocyclopentyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 64686086
2-(cyclopropylmethylamino)-N-(2-methylpropyl)-N-propan-2-ylacetamide;hydrochloride
CID 119730933
2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 166195250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide (CID 60809013) is 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide is CC(C)CN(C(=O)CCl)C(C)C.
What is the InChIKey of 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The InChIKey is NSOZCRVCADMVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-7(2)6-11(8(3)4)9(12)5-10/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide?
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide has a molecular weight of 191.70 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 60809013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).