N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide

C16H28N2O3 — CID 102867252

IUPACN-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)15(21)18-9-5-8-13(18)14(20)17(10-11-19)12-6-4-7-12/h12-13,19H,4-11H2,1-3H3
InChIKeyIBHSREBHKGHUQJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.40
Rot. Bonds4

About N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide

N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide (PubChem CID 102867252) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
PubChem CID102867252
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)15(21)18-9-5-8-13(18)14(20)17(10-11-19)12-6-4-7-12/h12-13,19H,4-11H2,1-3H3
InChIKeyIBHSREBHKGHUQJ-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
(2S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54995466
(2R)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 80749163
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58171936
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
CID 79031217
(4R)-3-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143191
N-(2,2-difluoro-3-hydroxypropyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 104862896
(2S,4S)-N-cyclobutyl-N-(2-hydroxyethyl)-1,2-dimethylpiperidine-4-carboxamide
CID 126809870
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropanamide
CID 102862067
1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 64511827
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide (CID 102867252) is N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is IBHSREBHKGHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)15(21)18-9-5-8-13(18)14(20)17(10-11-19)12-6-4-7-12/h12-13,19H,4-11H2,1-3H3.
What are the key properties of N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102867252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).