N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide

C22H28N2O4 — CID 139610538

IUPACN-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)(CC(C)C)c2ccc(O)c(NC(C)=O)c2)ccc1O
InChIInChI=1S/C22H28N2O4/c1-13(2)12-22(5,16-6-8-20(27)18(10-16)23-14(3)25)17-7-9-21(28)19(11-17)24-15(4)26/h6-11,13,27-28H,12H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyOWDYZRSMGGHKNE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.37
Rot. Bonds6

About N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide

N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide (PubChem CID 139610538) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide
PubChem CID139610538
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)(CC(C)C)c2ccc(O)c(NC(C)=O)c2)ccc1O
InChIInChI=1S/C22H28N2O4/c1-13(2)12-22(5,16-6-8-20(27)18(10-16)23-14(3)25)17-7-9-21(28)19(11-17)24-15(4)26/h6-11,13,27-28H,12H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyOWDYZRSMGGHKNE-UHFFFAOYSA-N
XLogP4.37
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
CID 51922854
2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid
CID 19105935
(Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one
CID 139061491
(Z)-4-(5-tert-butyl-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 101041653
(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide
CID 39951259
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
N-(5-tert-butyl-2-hydroxyphenyl)pentanamide
CID 29265334
4-tert-butyl-2-(propan-2-ylamino)phenol
CID 23106838
CID 174311569
CID 174311569
(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
CID 174446645
1-N,3-N-bis[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
CID 58868378

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide (CID 139610538) is N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide is CC(=O)Nc1cc(C(C)(CC(C)C)c2ccc(O)c(NC(C)=O)c2)ccc1O.
What is the InChIKey of N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide?
The InChIKey is OWDYZRSMGGHKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-13(2)12-22(5,16-6-8-20(27)18(10-16)23-14(3)25)17-7-9-21(28)19(11-17)24-15(4)26/h6-11,13,27-28H,12H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide?
N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 139610538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).