N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C23H27N3O5 — CID 124860449

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N3O5/c1-31-18-9-7-16(8-10-18)13-14-26-22(29)19(25-23(26)30)11-12-21(28)24-20(15-27)17-5-3-2-4-6-17/h2-10,19-20,27H,11-15H2,1H3,(H,24,28)(H,25,30)/t19-,20+/m1/s1
InChIKeyBXLXHKONQGOXOJ-UXHICEINSA-N
MW425.49 g/mol
LogP1.79
Rot. Bonds10

About N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 124860449) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID124860449
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H27N3O5/c1-31-18-9-7-16(8-10-18)13-14-26-22(29)19(25-23(26)30)11-12-21(28)24-20(15-27)17-5-3-2-4-6-17/h2-10,19-20,27H,11-15H2,1H3,(H,24,28)(H,25,30)/t19-,20+/m1/s1
InChIKeyBXLXHKONQGOXOJ-UXHICEINSA-N
XLogP1.79
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.79
H-Bond Donors ≤ 53
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 N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 124860449) is N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is BXLXHKONQGOXOJ-UXHICEINSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-31-18-9-7-16(8-10-18)13-14-26-22(29)19(25-23(26)30)11-12-21(28)24-20(15-27)17-5-3-2-4-6-17/h2-10,19-20,27H,11-15H2,1H3,(H,24,28)(H,25,30)/t19-,20+/m1/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 425.49 g/mol, XLogP of 1.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 124860449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).