2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide

C17H20ClNO2 — CID 14229850

IUPAC2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide
SMILESC#CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17(14(2)3)15-8-6-5-7-9-15/h1,5-9H,10-13H2,2-3H3
InChIKeyROUKGWWWPOVOGG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.15
Rot. Bonds7

About 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide

2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide (PubChem CID 14229850) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide
PubChem CID14229850
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide
SMILESC#CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17(14(2)3)15-8-6-5-7-9-15/h1,5-9H,10-13H2,2-3H3
InChIKeyROUKGWWWPOVOGG-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-(2-prop-2-ynoxyethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide (CID 14229850) is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide is C#CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide?
The InChIKey is ROUKGWWWPOVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17(14(2)3)15-8-6-5-7-9-15/h1,5-9H,10-13H2,2-3H3.
What are the key properties of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide?
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide has a molecular weight of 305.81 g/mol, XLogP of 3.15, 7 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-(2-prop-2-ynoxyethyl)acetamide is sourced from PubChem (CID 14229850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).