2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C21H28N2O3 — CID 54831154

IUPAC2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CNc2ccccc2OC(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-15(2)25-18-11-9-17(10-12-18)13-23-21(24)14-22-19-7-5-6-8-20(19)26-16(3)4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyILDCUYIURHKANM-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.99
Rot. Bonds9

About 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 54831154) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID54831154
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CNc2ccccc2OC(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-15(2)25-18-11-9-17(10-12-18)13-23-21(24)14-22-19-7-5-6-8-20(19)26-16(3)4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyILDCUYIURHKANM-UHFFFAOYSA-N
XLogP3.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54811586
2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999278
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54820264
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 54831154) is 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)CNc2ccccc2OC(C)C)cc1.
What is the InChIKey of 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is ILDCUYIURHKANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)25-18-11-9-17(10-12-18)13-23-21(24)14-22-19-7-5-6-8-20(19)26-16(3)4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24).
What are the key properties of 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 54831154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).