N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C17H26N2O2 — CID 60936759

IUPACN-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CC(O)CN1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-7-5-12(6-8-13)11-19(4)16(21)15-9-14(20)10-18-15/h5-8,14-15,18,20H,9-11H2,1-4H3
InChIKeyMCRPAUXRBSYUHG-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.67
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 60936759) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID60936759
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CC(O)CN1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-7-5-12(6-8-13)11-19(4)16(21)15-9-14(20)10-18-15/h5-8,14-15,18,20H,9-11H2,1-4H3
InChIKeyMCRPAUXRBSYUHG-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54871079
N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938155
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
4-hydroxy-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 60944721
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
CID 54943679
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 60937843
(2R,4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138507
(2R,4S)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138973
(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 124516580

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 60936759) is N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CC(O)CN1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MCRPAUXRBSYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)13-7-5-12(6-8-13)11-19(4)16(21)15-9-14(20)10-18-15/h5-8,14-15,18,20H,9-11H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60936759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).