N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide

C16H23N3O3 — CID 2206007

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OC
InChIInChI=1S/C16H23N3O3/c1-3-19-10-6-7-12(19)11-17-15(20)16(21)18-13-8-4-5-9-14(13)22-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyZGGPARUMGCQZFG-GFCCVEGCSA-N
MW305.38 g/mol
LogP1.23
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide (PubChem CID 2206007) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
PubChem CID2206007
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OC
InChIInChI=1S/C16H23N3O3/c1-3-19-10-6-7-12(19)11-17-15(20)16(21)18-13-8-4-5-9-14(13)22-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyZGGPARUMGCQZFG-GFCCVEGCSA-N
XLogP1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
N'-(2-methoxyphenyl)-N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222495
N'-(2-methoxyphenyl)-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16829877
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
3-[[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoacetyl]amino]-4-methylbenzoic acid
CID 51053262
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'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568281
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 78154777

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide (CID 2206007) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide is CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OC.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide?
The InChIKey is ZGGPARUMGCQZFG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-19-10-6-7-12(19)11-17-15(20)16(21)18-13-8-4-5-9-14(13)22-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide has a molecular weight of 305.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 2206007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).