2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

C17H23N3O4 — CID 7565917

IUPAC2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@@](C)(Cc2ccccc2OC)C1=O
InChIInChI=1S/C17H23N3O4/c1-4-9-18-14(21)11-20-15(22)17(2,19-16(20)23)10-12-7-5-6-8-13(12)24-3/h5-8H,4,9-11H2,1-3H3,(H,18,21)(H,19,23)/t17-/m0/s1
InChIKeyWNEKMJKOQGXIKR-KRWDZBQOSA-N
MW333.39 g/mol
LogP1.07
Rot. Bonds7

About 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 7565917) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID7565917
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@@](C)(Cc2ccccc2OC)C1=O
InChIInChI=1S/C17H23N3O4/c1-4-9-18-14(21)11-20-15(22)17(2,19-16(20)23)10-12-7-5-6-8-13(12)24-3/h5-8H,4,9-11H2,1-3H3,(H,18,21)(H,19,23)/t17-/m0/s1
InChIKeyWNEKMJKOQGXIKR-KRWDZBQOSA-N
XLogP1.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8581604
N-(2,6-diethylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566562
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842
N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565952
N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566766
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7566741
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 7566638
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7566379
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566403
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 7565917) is 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)N[C@@](C)(Cc2ccccc2OC)C1=O.
What is the InChIKey of 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is WNEKMJKOQGXIKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-4-9-18-14(21)11-20-15(22)17(2,19-16(20)23)10-12-7-5-6-8-13(12)24-3/h5-8H,4,9-11H2,1-3H3,(H,18,21)(H,19,23)/t17-/m0/s1.
What are the key properties of 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 333.39 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 7565917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).