3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride

C13H26ClN3O2 — CID 119512367

IUPAC3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)7-11(17)16-9-12(18)15-8-10-5-4-6-14-10;/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyUWXHNSMKBMUZGK-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.83
Rot. Bonds5

About 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride

3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride (PubChem CID 119512367) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
PubChem CID119512367
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)7-11(17)16-9-12(18)15-8-10-5-4-6-14-10;/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyUWXHNSMKBMUZGK-UHFFFAOYSA-N
XLogP0.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
CID 119512467
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
CID 24697478
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
N-[2-(ethylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689765
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
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
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride (CID 119512367) is 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride is CC(C)(C)CC(=O)NCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride?
The InChIKey is UWXHNSMKBMUZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-13(2,3)7-11(17)16-9-12(18)15-8-10-5-4-6-14-10;/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17);1H.
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride?
3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119512367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).