N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide

C21H26N2O4 — CID 2203693

IUPACN-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)c(O)c2)cc1O
InChIInChI=1S/C21H26N2O4/c1-12(2)20(26)22-16-7-5-14(10-18(16)24)9-15-6-8-17(19(25)11-15)23-21(27)13(3)4/h5-8,10-13,24-25H,9H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyODWFOUCLSUPULM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.88
Rot. Bonds6

About N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide

N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide (PubChem CID 2203693) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
PubChem CID2203693
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)c(O)c2)cc1O
InChIInChI=1S/C21H26N2O4/c1-12(2)20(26)22-16-7-5-14(10-18(16)24)9-15-6-8-17(19(25)11-15)23-21(27)13(3)4/h5-8,10-13,24-25H,9H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyODWFOUCLSUPULM-UHFFFAOYSA-N
XLogP3.88
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.88
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-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide
CID 2832543
N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide
CID 1293415
[4-hydroxy-3-(2-methylpropanoylamino)phenyl]methyl acetate
CID 158747785
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 7313981
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507184
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
4-(2-chloropropanoylamino)-3-hydroxybenzoic acid
CID 108744195

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide (CID 2203693) is N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)c(O)c2)cc1O.
What is the InChIKey of N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide?
The InChIKey is ODWFOUCLSUPULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-12(2)20(26)22-16-7-5-14(10-18(16)24)9-15-6-8-17(19(25)11-15)23-21(27)13(3)4/h5-8,10-13,24-25H,9H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide?
N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide has a molecular weight of 370.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 2203693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).