3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide

C20H22N4O4 — CID 124862824

IUPAC3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H22N4O4/c1-28-18-10-7-15(13-21-18)22-17(25)9-8-16-19(26)24(20(27)23-16)12-11-14-5-3-2-4-6-14/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,22,25)(H,23,27)/t16-/m1/s1
InChIKeyOUYXCPKAXQWWQN-MRXNPFEDSA-N
MW382.42 g/mol
LogP1.97
Rot. Bonds8

About 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide

3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 124862824) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID124862824
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H22N4O4/c1-28-18-10-7-15(13-21-18)22-17(25)9-8-16-19(26)24(20(27)23-16)12-11-14-5-3-2-4-6-14/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,22,25)(H,23,27)/t16-/m1/s1
InChIKeyOUYXCPKAXQWWQN-MRXNPFEDSA-N
XLogP1.97
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 91641060
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
CID 91640478
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91820890
methyl 2-[3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanoylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91639204
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
CID 75531634
N-(1H-indol-6-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210099
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide (CID 124862824) is 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cn1.
What is the InChIKey of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is OUYXCPKAXQWWQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-28-18-10-7-15(13-21-18)22-17(25)9-8-16-19(26)24(20(27)23-16)12-11-14-5-3-2-4-6-14/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,22,25)(H,23,27)/t16-/m1/s1.
What are the key properties of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide?
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 382.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 124862824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).