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

C13H19N3O3 — CID 81071699

IUPAC3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-3-10(8-14)6-13(17)15-11-5-4-9(2)12(7-11)16(18)19/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyMJVZEGAGEZLIND-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.22
Rot. Bonds6

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

3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide (PubChem CID 81071699) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide
PubChem CID81071699
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-3-10(8-14)6-13(17)15-11-5-4-9(2)12(7-11)16(18)19/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyMJVZEGAGEZLIND-UHFFFAOYSA-N
XLogP2.22
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.22
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

3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
3-(aminomethyl)-N-(5-chloro-2-nitrophenyl)pentanamide
CID 81076302
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide (CID 81071699) is 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide?
The InChIKey is MJVZEGAGEZLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-10(8-14)6-13(17)15-11-5-4-9(2)12(7-11)16(18)19/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide?
3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide has a molecular weight of 265.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide is sourced from PubChem (CID 81071699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).