2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C20H21N3O4 — CID 91637918

IUPAC2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H21N3O4/c24-16-8-6-14(7-9-16)10-11-21-18(25)12-17-19(26)23(20(27)22-17)13-15-4-2-1-3-5-15/h1-9,17,24H,10-13H2,(H,21,25)(H,22,27)/t17-/m0/s1
InChIKeyPAEGVZHLBGMESG-KRWDZBQOSA-N
MW367.40 g/mol
LogP1.56
Rot. Bonds7

About 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide

2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 91637918) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID91637918
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H21N3O4/c24-16-8-6-14(7-9-16)10-11-21-18(25)12-17-19(26)23(20(27)22-17)13-15-4-2-1-3-5-15/h1-9,17,24H,10-13H2,(H,21,25)(H,22,27)/t17-/m0/s1
InChIKeyPAEGVZHLBGMESG-KRWDZBQOSA-N
XLogP1.56
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 91641162
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 75490035
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 124860887
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4599471
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 91637918) is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide is O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(O)cc1.
What is the InChIKey of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is PAEGVZHLBGMESG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-16-8-6-14(7-9-16)10-11-21-18(25)12-17-19(26)23(20(27)22-17)13-15-4-2-1-3-5-15/h1-9,17,24H,10-13H2,(H,21,25)(H,22,27)/t17-/m0/s1.
What are the key properties of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 367.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 91637918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).