N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide

C16H24ClNO3 — CID 12818265

IUPACN-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide
SMILESCOCc1ccc(C(C)(C)C)c(NC(=O)CCl)c1COC
InChIInChI=1S/C16H24ClNO3/c1-16(2,3)13-7-6-11(9-20-4)12(10-21-5)15(13)18-14(19)8-17/h6-7H,8-10H2,1-5H3,(H,18,19)
InChIKeyJYGMDNSBRDCATO-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.45
Rot. Bonds6

About N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide

N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide (PubChem CID 12818265) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide
PubChem CID12818265
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC NameN-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide
SMILESCOCc1ccc(C(C)(C)C)c(NC(=O)CCl)c1COC
InChIInChI=1S/C16H24ClNO3/c1-16(2,3)13-7-6-11(9-20-4)12(10-21-5)15(13)18-14(19)8-17/h6-7H,8-10H2,1-5H3,(H,18,19)
InChIKeyJYGMDNSBRDCATO-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide?
The IUPAC name of N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide (CID 12818265) is N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide is COCc1ccc(C(C)(C)C)c(NC(=O)CCl)c1COC.
What is the InChIKey of N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide?
The InChIKey is JYGMDNSBRDCATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-16(2,3)13-7-6-11(9-20-4)12(10-21-5)15(13)18-14(19)8-17/h6-7H,8-10H2,1-5H3,(H,18,19).
What are the key properties of N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide?
N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide has a molecular weight of 313.83 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-tert-butyl-2,3-bis(methoxymethyl)phenyl]-2-chloroacetamide is sourced from PubChem (CID 12818265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).