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

C14H14N2O3 — CID 163232974

IUPAC2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
SMILESCC(C)C(=O)Nc1cccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C14H14N2O3/c1-9(2)14(17)15-13-5-3-4-10-8-11(16(18)19)6-7-12(10)13/h3-9H,1-2H3,(H,15,17)
InChIKeyIMYAUPQKMSSOGU-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.34
Rot. Bonds3

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

2-methyl-N-(6-nitronaphthalen-1-yl)propanamide (PubChem CID 163232974) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
PubChem CID163232974
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
SMILESCC(C)C(=O)Nc1cccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C14H14N2O3/c1-9(2)14(17)15-13-5-3-4-10-8-11(16(18)19)6-7-12(10)13/h3-9H,1-2H3,(H,15,17)
InChIKeyIMYAUPQKMSSOGU-UHFFFAOYSA-N
XLogP3.34
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.34
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-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 170421531
N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
CID 163232939
ethane;5-(2-methylpropanoylamino)naphthalene-2-sulfonic acid
CID 163232972
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate
CID 46608725
2-methyl-N-(6-methyl-8-nitronaphthalen-1-yl)propanamide
CID 170421486
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 4824587
1-[2-(2,4-dinitrophenyl)sulfanylphenyl]-3-naphthalen-1-ylurea
CID 5218625
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide (CID 163232974) is 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide is CC(C)C(=O)Nc1cccc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide?
The InChIKey is IMYAUPQKMSSOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(2)14(17)15-13-5-3-4-10-8-11(16(18)19)6-7-12(10)13/h3-9H,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(6-nitronaphthalen-1-yl)propanamide?
2-methyl-N-(6-nitronaphthalen-1-yl)propanamide has a molecular weight of 258.28 g/mol, XLogP of 3.34, 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-nitronaphthalen-1-yl)propanamide is sourced from PubChem (CID 163232974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).