N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide

C18H24N4O4 — CID 51971279

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H24N4O4/c1-3-22-8-4-5-13(22)10-19-17(24)18(25)20-12-6-7-15-14(9-12)21(2)16(23)11-26-15/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,24)(H,20,25)/t13-/m1/s1
InChIKeyVJKWPMUKGBTMPX-CYBMUJFWSA-N
MW360.41 g/mol
LogP0.58
Rot. Bonds4

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide (PubChem CID 51971279) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide
PubChem CID51971279
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H24N4O4/c1-3-22-8-4-5-13(22)10-19-17(24)18(25)20-12-6-7-15-14(9-12)21(2)16(23)11-26-15/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,24)(H,20,25)/t13-/m1/s1
InChIKeyVJKWPMUKGBTMPX-CYBMUJFWSA-N
XLogP0.58
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoacetamide
CID 51049026
2-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-1-carboxamide
CID 143615273
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568286
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910
N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 51973291
(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
3-[[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoacetyl]amino]-4-methylbenzoic acid
CID 51053262
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 51971203

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide (CID 51971279) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide is CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide?
The InChIKey is VJKWPMUKGBTMPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-3-22-8-4-5-13(22)10-19-17(24)18(25)20-12-6-7-15-14(9-12)21(2)16(23)11-26-15/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,24)(H,20,25)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide has a molecular weight of 360.41 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide is sourced from PubChem (CID 51971279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).