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

C15H30ClN3O2 — CID 119531548

IUPAC3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
SMILESCCCN(C(=O)CNC(=O)CC(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-5-8-18(12-6-7-16-10-12)14(20)11-17-13(19)9-15(2,3)4;/h12,16H,5-11H2,1-4H3,(H,17,19);1H
InChIKeyNVMHANPHUFXELT-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.56
Rot. Bonds6

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

3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride (PubChem CID 119531548) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
PubChem CID119531548
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC Name3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
SMILESCCCN(C(=O)CNC(=O)CC(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-5-8-18(12-6-7-16-10-12)14(20)11-17-13(19)9-15(2,3)4;/h12,16H,5-11H2,1-4H3,(H,17,19);1H
InChIKeyNVMHANPHUFXELT-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
CID 119531294
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
2-chloro-5-(3,3-dimethylbutanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119533243
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119532735
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
CID 119553258
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride (CID 119531548) is 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride is CCCN(C(=O)CNC(=O)CC(C)(C)C)C1CCNC1.Cl.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride?
The InChIKey is NVMHANPHUFXELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-5-8-18(12-6-7-16-10-12)14(20)11-17-13(19)9-15(2,3)4;/h12,16H,5-11H2,1-4H3,(H,17,19);1H.
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride?
3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119531548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).