2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C26H28N4O4 — CID 126418568

IUPAC2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)C2=O)cc1
InChIInChI=1S/C26H28N4O4/c1-34-17-11-9-16(10-12-17)13-14-30-25(32)22(29-26(30)33)15-23(31)27-21-8-4-6-19-18-5-2-3-7-20(18)28-24(19)21/h2-3,5,7,9-12,21-22,28H,4,6,8,13-15H2,1H3,(H,27,31)(H,29,33)/t21-,22+/m1/s1
InChIKeySCEKOWAZWLPVJF-YADHBBJMSA-N
MW460.53 g/mol
LogP3.22
Rot. Bonds7

About 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 126418568) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID126418568
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)C2=O)cc1
InChIInChI=1S/C26H28N4O4/c1-34-17-11-9-16(10-12-17)13-14-30-25(32)22(29-26(30)33)15-23(31)27-21-8-4-6-19-18-5-2-3-7-20(18)28-24(19)21/h2-3,5,7,9-12,21-22,28H,4,6,8,13-15H2,1H3,(H,27,31)(H,29,33)/t21-,22+/m1/s1
InChIKeySCEKOWAZWLPVJF-YADHBBJMSA-N
XLogP3.22
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531992
2-[(4S)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110207168
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 41062840
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 86207018
2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 75356839
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
N-(furan-2-ylmethyl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491512

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 126418568) is 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)C2=O)cc1.
What is the InChIKey of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is SCEKOWAZWLPVJF-YADHBBJMSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-34-17-11-9-16(10-12-17)13-14-30-25(32)22(29-26(30)33)15-23(31)27-21-8-4-6-19-18-5-2-3-7-20(18)28-24(19)21/h2-3,5,7,9-12,21-22,28H,4,6,8,13-15H2,1H3,(H,27,31)(H,29,33)/t21-,22+/m1/s1.
What are the key properties of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 126418568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).