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

C13H25N3O2 — CID 7320188

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C13H25N3O2/c1-4-16-7-5-6-11(16)9-15-13(18)12(17)14-8-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)/t11-/m0/s1
InChIKeyKWYZBVJPGJEZEK-NSHDSACASA-N
MW255.36 g/mol
LogP0.36
Rot. Bonds5

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide (PubChem CID 7320188) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
PubChem CID7320188
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C13H25N3O2/c1-4-16-7-5-6-11(16)9-15-13(18)12(17)14-8-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)/t11-/m0/s1
InChIKeyKWYZBVJPGJEZEK-NSHDSACASA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.36
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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide (CID 7320188) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide is CCN1CCC[C@H]1CNC(=O)C(=O)NCC(C)C.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is KWYZBVJPGJEZEK-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-16-7-5-6-11(16)9-15-13(18)12(17)14-8-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 255.36 g/mol, XLogP of 0.36, 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'-(2-methylpropyl)oxamide is sourced from PubChem (CID 7320188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).