N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C17H26N2O2 — CID 111427938

IUPACN-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C(NC(=O)N1CCCC1CO)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)15(13-8-5-4-6-9-13)18-16(21)19-11-7-10-14(19)12-20/h4-6,8-9,14-15,20H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyZWCNMJQIDIFJHL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds3

About N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111427938) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111427938
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C(NC(=O)N1CCCC1CO)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)15(13-8-5-4-6-9-13)18-16(21)19-11-7-10-14(19)12-20/h4-6,8-9,14-15,20H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyZWCNMJQIDIFJHL-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 96564974
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 61408635
(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99698023
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 62099075
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428345
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111427938) is N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(C)(C)C(NC(=O)N1CCCC1CO)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is ZWCNMJQIDIFJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)15(13-8-5-4-6-9-13)18-16(21)19-11-7-10-14(19)12-20/h4-6,8-9,14-15,20H,7,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).