2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide

C15H20ClNO — CID 15136822

IUPAC2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C15H20ClNO/c1-4-10-17(14(18)11-16)15(12(2)3)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3
InChIKeyGBUMNTGIBZPTQX-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.91
Rot. Bonds5

About 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide

2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide (PubChem CID 15136822) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide
PubChem CID15136822
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C15H20ClNO/c1-4-10-17(14(18)11-16)15(12(2)3)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3
InChIKeyGBUMNTGIBZPTQX-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide (CID 15136822) is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide is CCCN(C(=O)CCl)C(=C(C)C)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide?
The InChIKey is GBUMNTGIBZPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-10-17(14(18)11-16)15(12(2)3)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide?
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide has a molecular weight of 265.78 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide is sourced from PubChem (CID 15136822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).