2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide

C16H22ClNO2 — CID 15156071

IUPAC2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCC(C)=C(c1ccccc1)N(COC(C)C)C(=O)CCl
InChIInChI=1S/C16H22ClNO2/c1-12(2)16(14-8-6-5-7-9-14)18(15(19)10-17)11-20-13(3)4/h5-9,13H,10-11H2,1-4H3
InChIKeyXWANCRSZBBVBAO-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.89
Rot. Bonds6

About 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide

2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide (PubChem CID 15156071) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide
PubChem CID15156071
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCC(C)=C(c1ccccc1)N(COC(C)C)C(=O)CCl
InChIInChI=1S/C16H22ClNO2/c1-12(2)16(14-8-6-5-7-9-14)18(15(19)10-17)11-20-13(3)4/h5-9,13H,10-11H2,1-4H3
InChIKeyXWANCRSZBBVBAO-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(3-methoxythiophen-2-yl)-2-methylprop-1-enyl]-N-(propan-2-yloxymethyl)acetamide
CID 15156079
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide
CID 14326547
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propylsulfanylmethyl)acetamide
CID 15156083
2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 122590274
2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide
CID 15156068
2-[2-ethoxyethyl-(2-methyl-1-phenylprop-1-enyl)amino]-2-oxoethanesulfonic acid
CID 71751546
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]-N,N-dimethylacetamide
CID 60864172
2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide
CID 139751346
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 66617334
2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
CID 20525446

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide (CID 15156071) is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide is CC(C)=C(c1ccccc1)N(COC(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide?
The InChIKey is XWANCRSZBBVBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12(2)16(14-8-6-5-7-9-14)18(15(19)10-17)11-20-13(3)4/h5-9,13H,10-11H2,1-4H3.
What are the key properties of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide?
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide is sourced from PubChem (CID 15156071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).