N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C15H30N4O2 — CID 63264164

IUPACN-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN1CCC(CNC)C1
InChIInChI=1S/C15H30N4O2/c1-5-19(10-14(20)17-12(2)3)15(21)11-18-7-6-13(9-18)8-16-4/h12-13,16H,5-11H2,1-4H3,(H,17,20)
InChIKeyVTWFCRQGDLMRKJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.10
Rot. Bonds8

About N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 63264164) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID63264164
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN1CCC(CNC)C1
InChIInChI=1S/C15H30N4O2/c1-5-19(10-14(20)17-12(2)3)15(21)11-18-7-6-13(9-18)8-16-4/h12-13,16H,5-11H2,1-4H3,(H,17,20)
InChIKeyVTWFCRQGDLMRKJ-UHFFFAOYSA-N
XLogP-0.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 65249916
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 62660462
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 63267514
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperazin-1-ylacetamide
CID 43348706
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267509
N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914794
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 63264164) is N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CCN(CC(=O)NC(C)C)C(=O)CN1CCC(CNC)C1.
What is the InChIKey of N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is VTWFCRQGDLMRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-5-19(10-14(20)17-12(2)3)15(21)11-18-7-6-13(9-18)8-16-4/h12-13,16H,5-11H2,1-4H3,(H,17,20).
What are the key properties of N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 298.43 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 63264164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).