N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

C12H21N3O4 — CID 45497345

IUPACN'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCOCCNC(=O)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C12H21N3O4/c1-19-9-6-14-12(18)11(17)13-5-3-8-15-7-2-4-10(15)16/h2-9H2,1H3,(H,13,17)(H,14,18)
InChIKeyUQMSDPKIDFOKQQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.12
Rot. Bonds7

About N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (PubChem CID 45497345) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
PubChem CID45497345
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCOCCNC(=O)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C12H21N3O4/c1-19-9-6-14-12(18)11(17)13-5-3-8-15-7-2-4-10(15)16/h2-9H2,1H3,(H,13,17)(H,14,18)
InChIKeyUQMSDPKIDFOKQQ-UHFFFAOYSA-N
XLogP-1.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.12
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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Related Compounds

1-[3-(2-methoxyethylamino)propyl]pyrrolidin-2-one
CID 60720084
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
(Z)-2-cyano-3-(3-methoxypropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815372
(E)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 98444091
(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 47025991
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 44902400
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 44998685

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The IUPAC name of N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (CID 45497345) is N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is COCCNC(=O)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The InChIKey is UQMSDPKIDFOKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-19-9-6-14-12(18)11(17)13-5-3-8-15-7-2-4-10(15)16/h2-9H2,1H3,(H,13,17)(H,14,18).
What are the key properties of N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide has a molecular weight of 271.32 g/mol, XLogP of -1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is sourced from PubChem (CID 45497345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).