N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide

C19H20N2O7 — CID 8640953

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C19H20N2O7/c1-12(15-9-14(26-2)5-7-17(15)27-3)20-19(23)11-28-18-6-4-13(10-22)8-16(18)21(24)25/h4-10,12H,11H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyHLJFPCKXHMBZBL-GFCCVEGCSA-N
MW388.38 g/mol
LogP2.68
Rot. Bonds9

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide (PubChem CID 8640953) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
PubChem CID8640953
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C19H20N2O7/c1-12(15-9-14(26-2)5-7-17(15)27-3)20-19(23)11-28-18-6-4-13(10-22)8-16(18)21(24)25/h4-10,12H,11H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyHLJFPCKXHMBZBL-GFCCVEGCSA-N
XLogP2.68
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640967
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-formylbenzoate
CID 9019768
2-(4-formyl-2-methoxyphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263104
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
2-(4-formyl-2-nitrophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8951264
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338576
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 9199315
2-(4-formyl-2-nitrophenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8641036
2-(3-methoxy-4-nitrophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 95164929

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide (CID 8640953) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide is COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The InChIKey is HLJFPCKXHMBZBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-12(15-9-14(26-2)5-7-17(15)27-3)20-19(23)11-28-18-6-4-13(10-22)8-16(18)21(24)25/h4-10,12H,11H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide has a molecular weight of 388.38 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8640953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).