2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide

C18H26ClNO3 — CID 21403992

IUPAC2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
SMILESCCc1cccc(CC)c1N(CC1OC(C)C(C)O1)C(=O)CCl
InChIInChI=1S/C18H26ClNO3/c1-5-14-8-7-9-15(6-2)18(14)20(16(21)10-19)11-17-22-12(3)13(4)23-17/h7-9,12-13,17H,5-6,10-11H2,1-4H3
InChIKeyIFAJNFLBHYSZAX-UHFFFAOYSA-N
MW339.86 g/mol
LogP3.53
Rot. Bonds6

About 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide

2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide (PubChem CID 21403992) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
PubChem CID21403992
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
SMILESCCc1cccc(CC)c1N(CC1OC(C)C(C)O1)C(=O)CCl
InChIInChI=1S/C18H26ClNO3/c1-5-14-8-7-9-15(6-2)18(14)20(16(21)10-19)11-17-22-12(3)13(4)23-17/h7-9,12-13,17H,5-6,10-11H2,1-4H3
InChIKeyIFAJNFLBHYSZAX-UHFFFAOYSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide (CID 21403992) is 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide is CCc1cccc(CC)c1N(CC1OC(C)C(C)O1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide?
The InChIKey is IFAJNFLBHYSZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-5-14-8-7-9-15(6-2)18(14)20(16(21)10-19)11-17-22-12(3)13(4)23-17/h7-9,12-13,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide?
2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide has a molecular weight of 339.86 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide is sourced from PubChem (CID 21403992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).