1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide

C17H31N3O2 — CID 119535072

IUPAC1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)NCCC1CCNC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)11-15(21)20-10-4-5-14(20)16(22)19-9-7-13-6-8-18-12-13/h13-14,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyHPUFMCHQUCRMLJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.53
Rot. Bonds5

About 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide

1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 119535072) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
PubChem CID119535072
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)NCCC1CCNC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)11-15(21)20-10-4-5-14(20)16(22)19-9-7-13-6-8-18-12-13/h13-14,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyHPUFMCHQUCRMLJ-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119425971
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119555253
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120657949
3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 119535812
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
CID 109380565
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide (CID 119535072) is 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide is CC(C)(C)CC(=O)N1CCCC1C(=O)NCCC1CCNC1.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is HPUFMCHQUCRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)11-15(21)20-10-4-5-14(20)16(22)19-9-7-13-6-8-18-12-13/h13-14,18H,4-12H2,1-3H3,(H,19,22).
What are the key properties of 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide?
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).