3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide

C24H29N3O5 — CID 110205352

IUPAC3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(C(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1
InChIInChI=1S/C24H29N3O5/c1-15(2)22(16-5-9-18(31-3)10-6-16)26-21(28)14-13-20-23(29)27(24(30)25-20)17-7-11-19(32-4)12-8-17/h5-12,15,20,22H,13-14H2,1-4H3,(H,25,30)(H,26,28)/t20-,22?/m0/s1
InChIKeyNKUGFASIDMSWML-AIBWNMTMSA-N
MW439.51 g/mol
LogP3.42
Rot. Bonds9

About 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide

3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 110205352) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
PubChem CID110205352
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCOc1ccc(C(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1
InChIInChI=1S/C24H29N3O5/c1-15(2)22(16-5-9-18(31-3)10-6-16)26-21(28)14-13-20-23(29)27(24(30)25-20)17-7-11-19(32-4)12-8-17/h5-12,15,20,22H,13-14H2,1-4H3,(H,25,30)(H,26,28)/t20-,22?/m0/s1
InChIKeyNKUGFASIDMSWML-AIBWNMTMSA-N
XLogP3.42
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide (CID 110205352) is 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide is COc1ccc(C(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1.
What is the InChIKey of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is NKUGFASIDMSWML-AIBWNMTMSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-15(2)22(16-5-9-18(31-3)10-6-16)26-21(28)14-13-20-23(29)27(24(30)25-20)17-7-11-19(32-4)12-8-17/h5-12,15,20,22H,13-14H2,1-4H3,(H,25,30)(H,26,28)/t20-,22?/m0/s1.
What are the key properties of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide?
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 439.51 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 110205352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).