2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide

C19H28ClNO2 — CID 15137858

IUPAC2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide
SMILESCCCCCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C19H28ClNO2/c1-4-5-9-13-23-14-12-21(18(22)15-20)19(16(2)3)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-15H2,1-3H3
InChIKeyDVXOGLSIIPGNRD-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.71
Rot. Bonds10

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

2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide (PubChem CID 15137858) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide
PubChem CID15137858
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide
SMILESCCCCCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C19H28ClNO2/c1-4-5-9-13-23-14-12-21(18(22)15-20)19(16(2)3)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-15H2,1-3H3
InChIKeyDVXOGLSIIPGNRD-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide (CID 15137858) is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide is CCCCCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide?
The InChIKey is DVXOGLSIIPGNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-4-5-9-13-23-14-12-21(18(22)15-20)19(16(2)3)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-15H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide?
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide has a molecular weight of 337.89 g/mol, XLogP of 4.71, 10 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-pentoxyethyl)acetamide is sourced from PubChem (CID 15137858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).