3-(2-methyl-5-nitroanilino)-N-propylpropanamide

C13H19N3O3 — CID 55091259

IUPAC3-(2-methyl-5-nitroanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C13H19N3O3/c1-3-7-15-13(17)6-8-14-12-9-11(16(18)19)5-4-10(12)2/h4-5,9,14H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyLSAOXQHCKPEILZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds7

About 3-(2-methyl-5-nitroanilino)-N-propylpropanamide

3-(2-methyl-5-nitroanilino)-N-propylpropanamide (PubChem CID 55091259) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-methyl-5-nitroanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-methyl-5-nitroanilino)-N-propylpropanamide
PubChem CID55091259
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(2-methyl-5-nitroanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C13H19N3O3/c1-3-7-15-13(17)6-8-14-12-9-11(16(18)19)5-4-10(12)2/h4-5,9,14H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyLSAOXQHCKPEILZ-UHFFFAOYSA-N
XLogP2.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
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

2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
methyl 3-(2-methyl-5-nitroanilino)propanoate
CID 62588646
N-(2-methoxyethyl)-3-(2-methyl-4-nitroanilino)propanamide
CID 115671732
N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
1-(2-methyl-5-nitrophenyl)-3-propylthiourea
CID 8620233
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61064039
actinium;2-(2-methyl-5-nitroanilino)ethylazanide
CID 21364796
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-nitroanilino)-N-propylpropanamide?
The IUPAC name of 3-(2-methyl-5-nitroanilino)-N-propylpropanamide (CID 55091259) is 3-(2-methyl-5-nitroanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(2-methyl-5-nitroanilino)-N-propylpropanamide?
The canonical SMILES for 3-(2-methyl-5-nitroanilino)-N-propylpropanamide is CCCNC(=O)CCNc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 3-(2-methyl-5-nitroanilino)-N-propylpropanamide?
The InChIKey is LSAOXQHCKPEILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-7-15-13(17)6-8-14-12-9-11(16(18)19)5-4-10(12)2/h4-5,9,14H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-methyl-5-nitroanilino)-N-propylpropanamide?
3-(2-methyl-5-nitroanilino)-N-propylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-nitroanilino)-N-propylpropanamide is sourced from PubChem (CID 55091259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).