2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide

C11H15N3O4 — CID 81082853

IUPAC2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCOCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C11H15N3O4/c1-7-9(4-3-5-10(7)14(16)17)13-11(15)8(12)6-18-2/h3-5,8H,6,12H2,1-2H3,(H,13,15)
InChIKeyNNMYQCQWSSGYOP-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide

2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 81082853) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID81082853
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCOCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C11H15N3O4/c1-7-9(4-3-5-10(7)14(16)17)13-11(15)8(12)6-18-2/h3-5,8H,6,12H2,1-2H3,(H,13,15)
InChIKeyNNMYQCQWSSGYOP-UHFFFAOYSA-N
XLogP0.82
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.82
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-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
CID 81082919
2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 103606726
(2-methyl-3-nitrophenyl)urea
CID 22416531
2-[(2-methyl-3-nitrophenyl)carbamoylamino]ethyl acetate
CID 126829883
2-(carbamoylamino)-3-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 56777668
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
2-amino-4-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]butanamide
CID 103109301
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-amino-N-(3-bromo-4-nitrophenyl)-3-methoxypropanamide
CID 82864686
(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 93488024
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide (CID 81082853) is 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide is COCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is NNMYQCQWSSGYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-9(4-3-5-10(7)14(16)17)13-11(15)8(12)6-18-2/h3-5,8H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide?
2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 253.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 81082853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).