N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide

C16H18N2O5 — CID 96567467

IUPACN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCOc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H18N2O5/c1-11(10-12-6-4-5-7-13(12)22-3)17(2)16(19)14-8-9-15(23-14)18(20)21/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyIVWSMQRRZVJUGB-LLVKDONJSA-N
MW318.33 g/mol
LogP2.90
Rot. Bonds6

About N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide

N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 96567467) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID96567467
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCOc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H18N2O5/c1-11(10-12-6-4-5-7-13(12)22-3)17(2)16(19)14-8-9-15(23-14)18(20)21/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyIVWSMQRRZVJUGB-LLVKDONJSA-N
XLogP2.90
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
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

5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide
CID 21046123
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2428699
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046250
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463
N-[1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 71994211
N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 34867078
5-(furan-2-yl)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1,3-oxazole-4-carboxamide
CID 95898406
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide (CID 96567467) is N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide is COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is IVWSMQRRZVJUGB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11(10-12-6-4-5-7-13(12)22-3)17(2)16(19)14-8-9-15(23-14)18(20)21/h4-9,11H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide?
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 96567467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).