2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide

C10H20ClNO — CID 141318691

IUPAC2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
SMILESCC(C)CCN(C(=O)CCl)C(C)C
InChIInChI=1S/C10H20ClNO/c1-8(2)5-6-12(9(3)4)10(13)7-11/h8-9H,5-7H2,1-4H3
InChIKeyUKLVGUVGIVEDOF-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide

2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide (PubChem CID 141318691) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
PubChem CID141318691
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
SMILESCC(C)CCN(C(=O)CCl)C(C)C
InChIInChI=1S/C10H20ClNO/c1-8(2)5-6-12(9(3)4)10(13)7-11/h8-9H,5-7H2,1-4H3
InChIKeyUKLVGUVGIVEDOF-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.51
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-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
3-chloro-N-propan-2-yl-N-propylpropanamide
CID 43269467
N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
CID 79886811
2-chloro-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 96553344
2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide
CID 143383896
3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
CID 60840337
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide
CID 62728337
2-chloro-N,N-bis(3-methylbutyl)propanamide
CID 60718201
2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
CID 117059844
ethyl 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide (CID 141318691) is 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide is CC(C)CCN(C(=O)CCl)C(C)C.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide?
The InChIKey is UKLVGUVGIVEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(2)5-6-12(9(3)4)10(13)7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide?
2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide has a molecular weight of 205.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 141318691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).