(4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide

C22H24N4O4 — CID 66645094

IUPAC(4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@H](C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-25-14-18(26(22(25)30)13-16-10-6-3-7-11-16)21(29)24-17(19(27)20(23)28)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H2,23,28)(H,24,29)/t17?,18-/m1/s1
InChIKeyDHTGQFYOAWHVSC-QRWMCTBCSA-N
MW408.46 g/mol
LogP0.70
Rot. Bonds8

About (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide

(4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 66645094) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID66645094
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@H](C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-25-14-18(26(22(25)30)13-16-10-6-3-7-11-16)21(29)24-17(19(27)20(23)28)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H2,23,28)(H,24,29)/t17?,18-/m1/s1
InChIKeyDHTGQFYOAWHVSC-QRWMCTBCSA-N
XLogP0.70
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 66645094) is (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide is CN1C[C@H](C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is DHTGQFYOAWHVSC-QRWMCTBCSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-25-14-18(26(22(25)30)13-16-10-6-3-7-11-16)21(29)24-17(19(27)20(23)28)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H2,23,28)(H,24,29)/t17?,18-/m1/s1.
What are the key properties of (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
(4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 66645094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).