N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide

C17H25N3O2 — CID 125144966

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C17H25N3O2/c1-3-20-9-5-8-15(20)12-19-17(22)16(21)18-11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyQXPNBTGFDAAENA-HNNXBMFYSA-N
MW303.41 g/mol
LogP1.21
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide (PubChem CID 125144966) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide
PubChem CID125144966
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C17H25N3O2/c1-3-20-9-5-8-15(20)12-19-17(22)16(21)18-11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyQXPNBTGFDAAENA-HNNXBMFYSA-N
XLogP1.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111261167
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-methylphenyl)thiourea
CID 2408802
2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111842636
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51986497
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide (CID 125144966) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide is CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C)c1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide?
The InChIKey is QXPNBTGFDAAENA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-20-9-5-8-15(20)12-19-17(22)16(21)18-11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide has a molecular weight of 303.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 125144966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).