2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide

C15H16N2O3 — CID 170421486

IUPAC2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])c2c(NC(=O)C(C)C)cccc2c1
InChIInChI=1S/C15H16N2O3/c1-9(2)15(18)16-12-6-4-5-11-7-10(3)8-13(14(11)12)17(19)20/h4-9H,1-3H3,(H,16,18)
InChIKeyVVLPMAIBKKPQFC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide

2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide (PubChem CID 170421486) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide
PubChem CID170421486
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])c2c(NC(=O)C(C)C)cccc2c1
InChIInChI=1S/C15H16N2O3/c1-9(2)15(18)16-12-6-4-5-11-7-10(3)8-13(14(11)12)17(19)20/h4-9H,1-3H3,(H,16,18)
InChIKeyVVLPMAIBKKPQFC-UHFFFAOYSA-N
XLogP3.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(8-hydroxy-6-methylnaphthalen-1-yl)-2-methylpropanamide
CID 170421492
3-methyl-8-(2-methylpropanoylamino)naphthalene-1-sulfonic acid
CID 170421489
2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
CID 163232974
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
CID 163232939
1-(4-methyl-2-nitrophenyl)-3-naphthalen-1-ylthiourea
CID 17380362
(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 7793144
N-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 170421531
N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
CID 163233140
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 62853982

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide (CID 170421486) is 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide is Cc1cc([N+](=O)[O-])c2c(NC(=O)C(C)C)cccc2c1.
What is the InChIKey of 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide?
The InChIKey is VVLPMAIBKKPQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)15(18)16-12-6-4-5-11-7-10(3)8-13(14(11)12)17(19)20/h4-9H,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide?
2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide has a molecular weight of 272.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide is sourced from PubChem (CID 170421486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).