N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide

C19H23NO4 — CID 51186820

IUPACN-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(O)cc2)ccc1OCCC(C)C
InChIInChI=1S/C19H23NO4/c1-13(2)10-11-24-17-9-4-14(12-18(17)23-3)19(22)20-15-5-7-16(21)8-6-15/h4-9,12-13,21H,10-11H2,1-3H3,(H,20,22)
InChIKeyGJWBLEXLXPUQQO-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.08
Rot. Bonds7

About N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide

N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 51186820) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID51186820
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(O)cc2)ccc1OCCC(C)C
InChIInChI=1S/C19H23NO4/c1-13(2)10-11-24-17-9-4-14(12-18(17)23-3)19(22)20-15-5-7-16(21)8-6-15/h4-9,12-13,21H,10-11H2,1-3H3,(H,20,22)
InChIKeyGJWBLEXLXPUQQO-UHFFFAOYSA-N
XLogP4.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]phenyl]acetic acid
CID 119351564
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501579
3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951918
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide (CID 51186820) is N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)Nc2ccc(O)cc2)ccc1OCCC(C)C.
What is the InChIKey of N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is GJWBLEXLXPUQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(2)10-11-24-17-9-4-14(12-18(17)23-3)19(22)20-15-5-7-16(21)8-6-15/h4-9,12-13,21H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide?
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 329.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 51186820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).