N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide

C14H14N2O4 — CID 163232939

IUPACN-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc2c(O)cc([N+](=O)[O-])cc12
InChIInChI=1S/C14H14N2O4/c1-8(2)14(18)15-12-5-3-4-10-11(12)6-9(16(19)20)7-13(10)17/h3-8,17H,1-2H3,(H,15,18)
InChIKeyMSMWIRURLMPOBI-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.05
Rot. Bonds3

About N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide

N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide (PubChem CID 163232939) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
PubChem CID163232939
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc2c(O)cc([N+](=O)[O-])cc12
InChIInChI=1S/C14H14N2O4/c1-8(2)14(18)15-12-5-3-4-10-11(12)6-9(16(19)20)7-13(10)17/h3-8,17H,1-2H3,(H,15,18)
InChIKeyMSMWIRURLMPOBI-UHFFFAOYSA-N
XLogP3.05
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
CID 163233093
2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
CID 163232974
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
N-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 170421531
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
CID 163233140
2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide
CID 170421486
methyl 3-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]-5-nitrobenzoate
CID 46412308
(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide?
The IUPAC name of N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide (CID 163232939) is N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cccc2c(O)cc([N+](=O)[O-])cc12.
What is the InChIKey of N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide?
The InChIKey is MSMWIRURLMPOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8(2)14(18)15-12-5-3-4-10-11(12)6-9(16(19)20)7-13(10)17/h3-8,17H,1-2H3,(H,15,18).
What are the key properties of N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide?
N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide has a molecular weight of 274.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide is sourced from PubChem (CID 163232939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).