(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide

C19H16N2O7 — CID 2407615

IUPAC(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H16N2O7/c1-11(27-14-6-3-12-4-8-18(22)28-17(12)10-14)19(23)20-15-9-13(21(24)25)5-7-16(15)26-2/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyCRUORLBRUQZDLZ-LLVKDONJSA-N
MW384.34 g/mol
LogP3.12
Rot. Bonds6

About (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide

(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 2407615) has the molecular formula C19H16N2O7 and a molecular weight of 384.34 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID2407615
Molecular FormulaC19H16N2O7
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H16N2O7/c1-11(27-14-6-3-12-4-8-18(22)28-17(12)10-14)19(23)20-15-9-13(21(24)25)5-7-16(15)26-2/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyCRUORLBRUQZDLZ-LLVKDONJSA-N
XLogP3.12
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510158
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528122
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide (CID 2407615) is (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is CRUORLBRUQZDLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16N2O7/c1-11(27-14-6-3-12-4-8-18(22)28-17(12)10-14)19(23)20-15-9-13(21(24)25)5-7-16(15)26-2/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 384.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 2407615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).