2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide

C13H19N3O3 — CID 65225301

IUPAC2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-3-4-10(8-14)13(17)15-11-6-5-9(2)7-12(11)16(18)19/h5-7,10H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyUHKXELPYTWPOPH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.22
Rot. Bonds6

About 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide

2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide (PubChem CID 65225301) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
PubChem CID65225301
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-3-4-10(8-14)13(17)15-11-6-5-9(2)7-12(11)16(18)19/h5-7,10H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyUHKXELPYTWPOPH-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

2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 65225157
2-(aminomethyl)-N-(3-bromo-4-nitrophenyl)pentanamide
CID 82864613
2-(aminomethyl)-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 115912619
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 62853982
(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide
CID 8894248
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride
CID 119332475
ethyl N-(4-methyl-2-nitrophenyl)carbamate;4-methyl-2-nitroaniline
CID 87985494
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide (CID 65225301) is 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide is CCCC(CN)C(=O)Nc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide?
The InChIKey is UHKXELPYTWPOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-4-10(8-14)13(17)15-11-6-5-9(2)7-12(11)16(18)19/h5-7,10H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide?
2-(aminomethyl)-N-(4-methyl-2-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 2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide is sourced from PubChem (CID 65225301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).