N-methyl-3-(4-methyl-3-nitroanilino)propanamide

C11H15N3O3 — CID 55131710

IUPACN-methyl-3-(4-methyl-3-nitroanilino)propanamide
SMILESCNC(=O)CCNc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-3-4-9(7-10(8)14(16)17)13-6-5-11(15)12-2/h3-4,7,13H,5-6H2,1-2H3,(H,12,15)
InChIKeyKVCQEMZPLBQQQU-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.45
Rot. Bonds5

About N-methyl-3-(4-methyl-3-nitroanilino)propanamide

N-methyl-3-(4-methyl-3-nitroanilino)propanamide (PubChem CID 55131710) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-3-nitroanilino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-3-nitroanilino)propanamide
PubChem CID55131710
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-methyl-3-(4-methyl-3-nitroanilino)propanamide
SMILESCNC(=O)CCNc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-3-4-9(7-10(8)14(16)17)13-6-5-11(15)12-2/h3-4,7,13H,5-6H2,1-2H3,(H,12,15)
InChIKeyKVCQEMZPLBQQQU-UHFFFAOYSA-N
XLogP1.45
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.45
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'}

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Related Compounds

N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
N'-(4-methyl-3-nitrophenyl)-N-propylethane-1,2-diamine
CID 62911112
2-methyl-2-(4-methyl-3-nitroanilino)propanoic acid
CID 55131899
2-methyl-3-(4-methyl-3-nitroanilino)propanoic acid
CID 62912626
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
1-N-(4-methyl-3-nitrophenyl)butane-1,3-diamine
CID 63251626
4-methyl-3-nitro-N-pent-3-ynylaniline
CID 116644459
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
3-(3-amino-5-nitroanilino)-N-methylpropanamide
CID 80819210
3-(4-methyl-3-nitroanilino)propane-1,2-diol
CID 66176067
N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
CID 114133940

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-3-nitroanilino)propanamide?
The IUPAC name of N-methyl-3-(4-methyl-3-nitroanilino)propanamide (CID 55131710) is N-methyl-3-(4-methyl-3-nitroanilino)propanamide.
What is the SMILES notation for N-methyl-3-(4-methyl-3-nitroanilino)propanamide?
The canonical SMILES for N-methyl-3-(4-methyl-3-nitroanilino)propanamide is CNC(=O)CCNc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-3-(4-methyl-3-nitroanilino)propanamide?
The InChIKey is KVCQEMZPLBQQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-3-4-9(7-10(8)14(16)17)13-6-5-11(15)12-2/h3-4,7,13H,5-6H2,1-2H3,(H,12,15).
What are the key properties of N-methyl-3-(4-methyl-3-nitroanilino)propanamide?
N-methyl-3-(4-methyl-3-nitroanilino)propanamide has a molecular weight of 237.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-3-nitroanilino)propanamide is sourced from PubChem (CID 55131710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).