(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C21H24N2O3 — CID 124749019

IUPAC(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-10-8-18(9-11-19)23-14-17(12-20(23)24)21(25)22-13-16-6-4-3-5-7-16/h3-11,15,17H,12-14H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyKUUUZXIETGOVQJ-QGZVFWFLSA-N
MW352.43 g/mol
LogP3.14
Rot. Bonds6

About (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 124749019) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID124749019
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-10-8-18(9-11-19)23-14-17(12-20(23)24)21(25)22-13-16-6-4-3-5-7-16/h3-11,15,17H,12-14H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyKUUUZXIETGOVQJ-QGZVFWFLSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188388
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188397
N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55579173
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056074
(3R)-N-(2-bromophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7323830
(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 124749019) is (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CC(C)Oc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1.
What is the InChIKey of (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KUUUZXIETGOVQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)26-19-10-8-18(9-11-19)23-14-17(12-20(23)24)21(25)22-13-16-6-4-3-5-7-16/h3-11,15,17H,12-14H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124749019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).