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

C15H29N3O3 — CID 11897658

IUPACN'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C15H29N3O3/c1-4-18-9-5-7-13(18)11-17-15(20)14(19)16-8-6-10-21-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeySOTDZFYTDCLVST-ZDUSSCGKSA-N
MW299.41 g/mol
LogP0.52
Rot. Bonds8

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

N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 11897658) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID11897658
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C15H29N3O3/c1-4-18-9-5-7-13(18)11-17-15(20)14(19)16-8-6-10-21-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeySOTDZFYTDCLVST-ZDUSSCGKSA-N
XLogP0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide (CID 11897658) is N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide is CCN1CCC[C@H]1CNC(=O)C(=O)NCCCOC(C)C.
What is the InChIKey of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is SOTDZFYTDCLVST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-18-9-5-7-13(18)11-17-15(20)14(19)16-8-6-10-21-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,19)(H,17,20)/t13-/m0/s1.
What are the key properties of N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 299.41 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 11897658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).