2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide

C20H29N5O4 — CID 8790308

IUPAC2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C20H29N5O4/c1-4-12-21-16(26)13-24(3)14-17(27)23-25-18(28)20(2,22-19(25)29)11-10-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3,(H,21,26)(H,22,29)(H,23,27)/t20-/m0/s1
InChIKeyWDPFPHCHBWHMPF-FQEVSTJZSA-N
MW403.48 g/mol
LogP0.42
Rot. Bonds10

About 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide

2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide (PubChem CID 8790308) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide
PubChem CID8790308
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Name2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C20H29N5O4/c1-4-12-21-16(26)13-24(3)14-17(27)23-25-18(28)20(2,22-19(25)29)11-10-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3,(H,21,26)(H,22,29)(H,23,27)/t20-/m0/s1
InChIKeyWDPFPHCHBWHMPF-FQEVSTJZSA-N
XLogP0.42
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250
2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 18088774
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 18088033
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 34201331
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
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135813344
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 18094823
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 26002780

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide (CID 8790308) is 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O.
What is the InChIKey of 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide?
The InChIKey is WDPFPHCHBWHMPF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-4-12-21-16(26)13-24(3)14-17(27)23-25-18(28)20(2,22-19(25)29)11-10-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3,(H,21,26)(H,22,29)(H,23,27)/t20-/m0/s1.
What are the key properties of 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide?
2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide has a molecular weight of 403.48 g/mol, XLogP of 0.42, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propylacetamide is sourced from PubChem (CID 8790308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).