2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide

C22H30N2O2 — CID 108998486

IUPAC2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H30N2O2/c1-15(2)18-10-8-11-19(16(3)4)22(18)24-14-21(25)23-13-17-9-6-7-12-20(17)26-5/h6-12,15-16,24H,13-14H2,1-5H3,(H,23,25)
InChIKeyXJLWVDUJSHNUAI-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.67
Rot. Bonds8

About 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 108998486) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID108998486
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H30N2O2/c1-15(2)18-10-8-11-19(16(3)4)22(18)24-14-21(25)23-13-17-9-6-7-12-20(17)26-5/h6-12,15-16,24H,13-14H2,1-5H3,(H,23,25)
InChIKeyXJLWVDUJSHNUAI-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 108998486) is 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CNc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is XJLWVDUJSHNUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15(2)18-10-8-11-19(16(3)4)22(18)24-14-21(25)23-13-17-9-6-7-12-20(17)26-5/h6-12,15-16,24H,13-14H2,1-5H3,(H,23,25).
What are the key properties of 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 354.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 108998486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).