N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide

C16H16N2O4 — CID 17342552

IUPACN-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-11-2-4-12(5-3-11)6-9-16(20)17-14-10-13(18(21)22)7-8-15(14)19/h2-5,7-8,10,19H,6,9H2,1H3,(H,17,20)
InChIKeyMTCTYPXRCBXKDL-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.18
Rot. Bonds5

About N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide

N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide (PubChem CID 17342552) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide
PubChem CID17342552
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-11-2-4-12(5-3-11)6-9-16(20)17-14-10-13(18(21)22)7-8-15(14)19/h2-5,7-8,10,19H,6,9H2,1H3,(H,17,20)
InChIKeyMTCTYPXRCBXKDL-UHFFFAOYSA-N
XLogP3.18
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
4-(3,4-dimethylphenyl)-N-(2-hydroxy-5-nitrophenyl)-4-oxobutanamide
CID 108796760
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126245131

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide (CID 17342552) is N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is MTCTYPXRCBXKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-2-4-12(5-3-11)6-9-16(20)17-14-10-13(18(21)22)7-8-15(14)19/h2-5,7-8,10,19H,6,9H2,1H3,(H,17,20).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide?
N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 300.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 17342552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).