2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

About 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 8793001) has the molecular formula C21H31N5O4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name	2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID	8793001
Molecular Formula	C21H31N5O4
Molecular Weight	417.51 g/mol
Exact Mass	417.24
IUPAC Name	2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILES	CCN(CC(=O)NC(C)C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O
InChI	InChI=1S/C21H31N5O4/c1-5-25(13-17(27)22-15(2)3)14-18(28)24-26-19(29)21(4,23-20(26)30)12-11-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3,(H,22,27)(H,23,30)(H,24,28)/t21-/m1/s1
InChIKey	PSICHDAAXZDAJA-OAQYLSRUSA-N
XLogP	0.81
TPSA	110.85 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The IUPAC name of 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 8793001) is 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O.

What is the InChIKey of 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The InChIKey is PSICHDAAXZDAJA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N5O4/c1-5-25(13-17(27)22-15(2)3)14-18(28)24-26-19(29)21(4,23-20(26)30)12-11-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3,(H,22,27)(H,23,30)(H,24,28)/t21-/m1/s1.

What are the key properties of 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 417.51 g/mol, XLogP of 0.81, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8793001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).