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

C13H19N3O4 — CID 65225157

IUPAC2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-3-4-9(8-14)13(17)15-11-6-5-10(20-2)7-12(11)16(18)19/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyUZCASNXYFSAXHU-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.92
Rot. Bonds7

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

2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide (PubChem CID 65225157) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
PubChem CID65225157
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-3-4-9(8-14)13(17)15-11-6-5-10(20-2)7-12(11)16(18)19/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyUZCASNXYFSAXHU-UHFFFAOYSA-N
XLogP1.92
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-2-nitrophenyl)pentanamide
CID 65225301
2-[(4-methoxy-2-nitroanilino)methyl]pentanoic acid
CID 65224121
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
(2S)-2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylsulfanylbutanamide
CID 61178396
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
2-(aminomethyl)-N-(3-bromo-4-nitrophenyl)pentanamide
CID 82864613
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide (CID 65225157) is 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide is CCCC(CN)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide?
The InChIKey is UZCASNXYFSAXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-4-9(8-14)13(17)15-11-6-5-10(20-2)7-12(11)16(18)19/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide?
2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide has a molecular weight of 281.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide is sourced from PubChem (CID 65225157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).