N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C20H21N3O5 — CID 32761392

IUPACN-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESC[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H21N3O5/c1-13(14-4-3-5-16(10-14)23(26)27)22(2)20(25)12-28-17-7-8-18-15(11-17)6-9-19(24)21-18/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyHUNDDEIIEMIIBM-ZDUSSCGKSA-N
MW383.40 g/mol
LogP3.08
Rot. Bonds6

About N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 32761392) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID32761392
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESC[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H21N3O5/c1-13(14-4-3-5-16(10-14)23(26)27)22(2)20(25)12-28-17-7-8-18-15(11-17)6-9-19(24)21-18/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyHUNDDEIIEMIIBM-ZDUSSCGKSA-N
XLogP3.08
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
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

N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 46566201
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 32919288
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 26461356
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33261263
N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55408260
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 51934323
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46565300
5-bromo-N-methyl-N-[1-(3-nitrophenyl)ethyl]pentanamide
CID 107910414
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 32761392) is N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is HUNDDEIIEMIIBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13(14-4-3-5-16(10-14)23(26)27)22(2)20(25)12-28-17-7-8-18-15(11-17)6-9-19(24)21-18/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 383.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 32761392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).