4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide

C13H18N2O3 — CID 39753327

IUPAC4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-9(2)4-7-13(16)14-11-6-5-10(3)12(8-11)15(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,14,16)
InChIKeyZYSLYONROZDKIN-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.28
Rot. Bonds5

About 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide

4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide (PubChem CID 39753327) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
PubChem CID39753327
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-9(2)4-7-13(16)14-11-6-5-10(3)12(8-11)15(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,14,16)
InChIKeyZYSLYONROZDKIN-UHFFFAOYSA-N
XLogP3.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.28
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

4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-3-nitrophenyl)propanamide
CID 29201494
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-3-nitrophenyl)-4-oxobutanamide
CID 26575505
2-methyl-N-[4-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 55892711
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46594715
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
1-(2-hydroxypropyl)-3-(4-methyl-3-nitrophenyl)-1-propan-2-ylurea
CID 111754156
3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide
CID 81071699
2,3-dimethyl-4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid
CID 103496212

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide?
The IUPAC name of 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide (CID 39753327) is 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide?
The canonical SMILES for 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide is Cc1ccc(NC(=O)CCC(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide?
The InChIKey is ZYSLYONROZDKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)4-7-13(16)14-11-6-5-10(3)12(8-11)15(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide?
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide has a molecular weight of 250.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide is sourced from PubChem (CID 39753327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).