2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide

C12H23N3O2 — CID 119512467

IUPAC2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC1CCCN1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)11(17)15-8-10(16)14-7-9-5-4-6-13-9/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyFDXZAQPZEGBFEX-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide (PubChem CID 119512467) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
PubChem CID119512467
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC1CCCN1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)11(17)15-8-10(16)14-7-9-5-4-6-13-9/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyFDXZAQPZEGBFEX-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
CID 119512367
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
N-[2-(ethylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689765

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide (CID 119512467) is 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)NCC1CCCN1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide?
The InChIKey is FDXZAQPZEGBFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)11(17)15-8-10(16)14-7-9-5-4-6-13-9/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 119512467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).