(2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide

C24H31N3O4 — CID 163884051

IUPAC(2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)[C@@H]1CCCN1CC(=O)c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H31N3O4/c1-3-17(2)22(24(30)25-15-18-9-5-4-6-10-18)26-23(29)19-11-7-13-27(19)16-20(28)21-12-8-14-31-21/h4-6,8-10,12,14,17,19,22H,3,7,11,13,15-16H2,1-2H3,(H,25,30)(H,26,29)/t17?,19-,22-/m0/s1
InChIKeyPVUDRIJSULJFOQ-MWRVEUOJSA-N
MW425.53 g/mol
LogP2.77
Rot. Bonds10

About (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 163884051) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID163884051
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name(2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)[C@@H]1CCCN1CC(=O)c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H31N3O4/c1-3-17(2)22(24(30)25-15-18-9-5-4-6-10-18)26-23(29)19-11-7-13-27(19)16-20(28)21-12-8-14-31-21/h4-6,8-10,12,14,17,19,22H,3,7,11,13,15-16H2,1-2H3,(H,25,30)(H,26,29)/t17?,19-,22-/m0/s1
InChIKeyPVUDRIJSULJFOQ-MWRVEUOJSA-N
XLogP2.77
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 163884051) is (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide is CCC(C)[C@H](NC(=O)[C@@H]1CCCN1CC(=O)c1ccco1)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is PVUDRIJSULJFOQ-MWRVEUOJSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-17(2)22(24(30)25-15-18-9-5-4-6-10-18)26-23(29)19-11-7-13-27(19)16-20(28)21-12-8-14-31-21/h4-6,8-10,12,14,17,19,22H,3,7,11,13,15-16H2,1-2H3,(H,25,30)(H,26,29)/t17?,19-,22-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163884051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).