3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide

C22H26N4O4 — CID 124845973

IUPAC3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide
SMILESCC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C2=O)c1
InChIInChI=1S/C22H26N4O4/c1-13(27)24-17-3-2-4-18(11-17)26-21(29)19(25-22(26)30)7-8-20(28)23-12-16-10-14-5-6-15(16)9-14/h2-6,11,14-16,19H,7-10,12H2,1H3,(H,23,28)(H,24,27)(H,25,30)/t14-,15-,16+,19+/m0/s1
InChIKeyHYXNEBRGPSMSQC-YIOZNXECSA-N
MW410.47 g/mol
LogP2.18
Rot. Bonds7

About 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide

3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide (PubChem CID 124845973) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide
PubChem CID124845973
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide
SMILESCC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C2=O)c1
InChIInChI=1S/C22H26N4O4/c1-13(27)24-17-3-2-4-18(11-17)26-21(29)19(25-22(26)30)7-8-20(28)23-12-16-10-14-5-6-15(16)9-14/h2-6,11,14-16,19H,7-10,12H2,1H3,(H,23,28)(H,24,27)(H,25,30)/t14-,15-,16+,19+/m0/s1
InChIKeyHYXNEBRGPSMSQC-YIOZNXECSA-N
XLogP2.18
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861754
N-[3-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]acetamide
CID 6544821
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide
CID 51972824
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
N-[3-[(4S)-4-[3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-oxopropyl]-2,5-dioxoimidazolidin-1-yl]phenyl]acetamide
CID 110206841
N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide
CID 43789833
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
CID 43782533

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide?
The IUPAC name of 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide (CID 124845973) is 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide.
What is the SMILES notation for 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide?
The canonical SMILES for 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide is CC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C2=O)c1.
What is the InChIKey of 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide?
The InChIKey is HYXNEBRGPSMSQC-YIOZNXECSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-13(27)24-17-3-2-4-18(11-17)26-21(29)19(25-22(26)30)7-8-20(28)23-12-16-10-14-5-6-15(16)9-14/h2-6,11,14-16,19H,7-10,12H2,1H3,(H,23,28)(H,24,27)(H,25,30)/t14-,15-,16+,19+/m0/s1.
What are the key properties of 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide?
3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide has a molecular weight of 410.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]propanamide is sourced from PubChem (CID 124845973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).