2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide

C21H26N2O5 — CID 155297282

IUPAC2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide
SMILESCC(C)N(C(=O)C(CO)CCCc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C21H26N2O5/c1-15(2)22(18-10-12-20(25)13-11-18)21(26)17(14-24)5-3-4-16-6-8-19(9-7-16)23(27)28/h6-13,15,17,24-25H,3-5,14H2,1-2H3
InChIKeyOPUPJBPPSPDMQH-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.67
Rot. Bonds9

About 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide

2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide (PubChem CID 155297282) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide
PubChem CID155297282
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide
SMILESCC(C)N(C(=O)C(CO)CCCc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C21H26N2O5/c1-15(2)22(18-10-12-20(25)13-11-18)21(26)17(14-24)5-3-4-16-6-8-19(9-7-16)23(27)28/h6-13,15,17,24-25H,3-5,14H2,1-2H3
InChIKeyOPUPJBPPSPDMQH-UHFFFAOYSA-N
XLogP3.67
TPSA103.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide
CID 23507202
2-methyl-6-(4-nitrophenyl)hexan-3-one
CID 43520086
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
4-nitrophenol;propan-2-one
CID 18924338
4-nitrophenol
CID 88714583
1-(5-methyl-4-methylidenehexyl)-4-nitrobenzene
CID 177187626
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
[bis[3-(4-nitrophenyl)propyl]amino]methanedithiol
CID 162304211
4-nitrophenol;phosphane
CID 157153413
4-[3-methyl-2-[(4-nitrophenyl)methyl]pentyl]phenol
CID 57032263
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
2-[(4-nitrophenyl)methylsulfinyl]propanoic acid
CID 60983503

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide?
The IUPAC name of 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide (CID 155297282) is 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide is CC(C)N(C(=O)C(CO)CCCc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1.
What is the InChIKey of 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide?
The InChIKey is OPUPJBPPSPDMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-15(2)22(18-10-12-20(25)13-11-18)21(26)17(14-24)5-3-4-16-6-8-19(9-7-16)23(27)28/h6-13,15,17,24-25H,3-5,14H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide?
2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide has a molecular weight of 386.45 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide is sourced from PubChem (CID 155297282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).