2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide

C21H26N2O4 — CID 142200859

IUPAC2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C)c(Oc2ccc(O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H26N2O4/c1-12(2)18-10-17(6-7-19(18)25)27-21-13(3)8-16(9-14(21)4)23-20(26)11-22-15(5)24/h6-10,12,25H,11H2,1-5H3,(H,22,24)(H,23,26)
InChIKeyUEMDVMVTKKMREY-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.00
Rot. Bonds6

About 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide

2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide (PubChem CID 142200859) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
PubChem CID142200859
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C)c(Oc2ccc(O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H26N2O4/c1-12(2)18-10-17(6-7-19(18)25)27-21-13(3)8-16(9-14(21)4)23-20(26)11-22-15(5)24/h6-10,12,25H,11H2,1-5H3,(H,22,24)(H,23,26)
InChIKeyUEMDVMVTKKMREY-UHFFFAOYSA-N
XLogP4.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
CID 142200724
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
CID 142200728
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
CID 142200788
N-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanamide
CID 127050521
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
CID 142200753
tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
CID 142030848
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]prop-2-ene-1-sulfinamide
CID 142200717
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide?
The IUPAC name of 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide (CID 142200859) is 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide is CC(=O)NCC(=O)Nc1cc(C)c(Oc2ccc(O)c(C(C)C)c2)c(C)c1.
What is the InChIKey of 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide?
The InChIKey is UEMDVMVTKKMREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-12(2)18-10-17(6-7-19(18)25)27-21-13(3)8-16(9-14(21)4)23-20(26)11-22-15(5)24/h6-10,12,25H,11H2,1-5H3,(H,22,24)(H,23,26).
What are the key properties of 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide?
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide is sourced from PubChem (CID 142200859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).