2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide

C13H16N2O5 — CID 102560816

IUPAC2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide
SMILESCC(OCC1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H16N2O5/c1-8(20-7-9-2-3-9)13(17)14-11-6-10(15(18)19)4-5-12(11)16/h4-6,8-9,16H,2-3,7H2,1H3,(H,14,17)
InChIKeyDFLVTLHQMKULMX-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.05
Rot. Bonds6

About 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide

2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide (PubChem CID 102560816) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide
PubChem CID102560816
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide
SMILESCC(OCC1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H16N2O5/c1-8(20-7-9-2-3-9)13(17)14-11-6-10(15(18)19)4-5-12(11)16/h4-6,8-9,16H,2-3,7H2,1H3,(H,14,17)
InChIKeyDFLVTLHQMKULMX-UHFFFAOYSA-N
XLogP2.05
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 56766376
2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
CID 56689131
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
2-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)-4,4-dimethylpentanamide
CID 107744880
(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(cyclopropylmethoxy)propanamide
CID 95149293
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863163
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide (CID 102560816) is 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide is CC(OCC1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide?
The InChIKey is DFLVTLHQMKULMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8(20-7-9-2-3-9)13(17)14-11-6-10(15(18)19)4-5-12(11)16/h4-6,8-9,16H,2-3,7H2,1H3,(H,14,17).
What are the key properties of 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide?
2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide has a molecular weight of 280.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 102560816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).