(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

C22H25N3O3 — CID 52526979

IUPAC(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c23-22(28)19-11-6-14-25(19)15-17-9-4-5-10-18(17)24-21(27)13-12-20(26)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H2,23,28)(H,24,27)/t19-/m1/s1
InChIKeyBIUWGGFSLQAQJQ-LJQANCHMSA-N
MW379.46 g/mol
LogP2.74
Rot. Bonds8

About (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 52526979) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID52526979
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3/c23-22(28)19-11-6-14-25(19)15-17-9-4-5-10-18(17)24-21(27)13-12-20(26)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H2,23,28)(H,24,27)/t19-/m1/s1
InChIKeyBIUWGGFSLQAQJQ-LJQANCHMSA-N
XLogP2.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
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1-phenacylpiperidine-2-carboxamide
CID 60681003
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86886899
(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 97236683
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 86950776
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 86953047

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 52526979) is (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BIUWGGFSLQAQJQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O3/c23-22(28)19-11-6-14-25(19)15-17-9-4-5-10-18(17)24-21(27)13-12-20(26)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H2,23,28)(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 52526979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).