2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide

C12H17N3O4 — CID 81082319

IUPAC2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O4/c1-19-7-3-6-11(13)12(16)14-9-4-2-5-10(8-9)15(17)18/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,16)
InChIKeyYYJKQIAQNADANZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.29
Rot. Bonds7

About 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide

2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide (PubChem CID 81082319) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide
PubChem CID81082319
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O4/c1-19-7-3-6-11(13)12(16)14-9-4-2-5-10(8-9)15(17)18/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,16)
InChIKeyYYJKQIAQNADANZ-UHFFFAOYSA-N
XLogP1.29
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-nitrophenyl)pentanamide
CID 113223757
2-amino-N-(3-bromo-4-nitrophenyl)-5-methoxypentanamide
CID 82864395
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
2-amino-N-(2-chloro-4-nitrophenyl)-5-methoxypentanamide
CID 81083150
2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
CID 81071300
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
(2S)-2-amino-3-methyl-N-(3-nitrophenyl)pentanamide
CID 61172453
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
(2S)-2-amino-3,3-dimethyl-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670754
1-[(2R)-1-methoxypropan-2-yl]-3-(3-nitrophenyl)urea
CID 27870478

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide (CID 81082319) is 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide is COCCCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide?
The InChIKey is YYJKQIAQNADANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-7-3-6-11(13)12(16)14-9-4-2-5-10(8-9)15(17)18/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide?
2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide has a molecular weight of 267.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide is sourced from PubChem (CID 81082319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).