N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide

C15H22ClNO3 — CID 21299002

IUPACN-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
SMILESCOCN(C(=O)CCl)c1c(OC)cccc1C(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-15(2,3)11-7-6-8-12(20-5)14(11)17(10-19-4)13(18)9-16/h6-8H,9-10H2,1-5H3
InChIKeyPWMABRQWOCOROR-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.17
Rot. Bonds5

About N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide

N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide (PubChem CID 21299002) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
PubChem CID21299002
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
SMILESCOCN(C(=O)CCl)c1c(OC)cccc1C(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-15(2,3)11-7-6-8-12(20-5)14(11)17(10-19-4)13(18)9-16/h6-8H,9-10H2,1-5H3
InChIKeyPWMABRQWOCOROR-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-tert-butyl-6-methoxyphenyl)-N-(methoxymethyl)acetamide
CID 21298999
N-(2-tert-butylphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 20561480
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 70554525
2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
CID 67892276
3-chloro-1,1-difluoro-1-(2-methoxyphenyl)propan-2-one
CID 91927385
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 21424325
2-chloro-N-(1,3-dithiolan-2-ylmethyl)-N-(2-methoxy-6-methylphenyl)acetamide
CID 21403983
2-[N-(methoxymethyl)-2,6-dimethylanilino]-2-oxoethanesulfonic acid
CID 139598040

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide?
The IUPAC name of N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide (CID 21299002) is N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide?
The canonical SMILES for N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide is COCN(C(=O)CCl)c1c(OC)cccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide?
The InChIKey is PWMABRQWOCOROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-15(2,3)11-7-6-8-12(20-5)14(11)17(10-19-4)13(18)9-16/h6-8H,9-10H2,1-5H3.
What are the key properties of N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide?
N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide is sourced from PubChem (CID 21299002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).