2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide

C15H22ClNO2 — CID 20525446

IUPAC2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCC(C)OCc1cccc(N(C(=O)CCl)C(C)C)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17(15(18)9-16)14-7-5-6-13(8-14)10-19-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyQCQODWLBVVWWDR-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.59
Rot. Bonds6

About 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide

2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide (PubChem CID 20525446) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
PubChem CID20525446
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCC(C)OCc1cccc(N(C(=O)CCl)C(C)C)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)17(15(18)9-16)14-7-5-6-13(8-14)10-19-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyQCQODWLBVVWWDR-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
CID 175422167
1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
CID 83883412
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010
2-methyl-5-(propan-2-yloxymethyl)benzoic acid
CID 117222052
2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
CID 52760083
2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
CID 55703716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide (CID 20525446) is 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide is CC(C)OCc1cccc(N(C(=O)CCl)C(C)C)c1.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
The InChIKey is QCQODWLBVVWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)17(15(18)9-16)14-7-5-6-13(8-14)10-19-12(3)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide?
2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide is sourced from PubChem (CID 20525446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).