N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide

C25H26N4O3 — CID 118972901

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C25H26N4O3/c1-16(18-11-12-18)28(14-17-7-3-2-4-8-17)22(30)15-29-24(31)23(27-25(29)32)20-13-26-21-10-6-5-9-19(20)21/h2-10,13,16,18,23,26H,11-12,14-15H2,1H3,(H,27,32)
InChIKeySLOOWKBLRKVRJF-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.59
Rot. Bonds7

About N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 118972901) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID118972901
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C25H26N4O3/c1-16(18-11-12-18)28(14-17-7-3-2-4-8-17)22(30)15-29-24(31)23(27-25(29)32)20-13-26-21-10-6-5-9-19(20)21/h2-10,13,16,18,23,26H,11-12,14-15H2,1H3,(H,27,32)
InChIKeySLOOWKBLRKVRJF-UHFFFAOYSA-N
XLogP3.59
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 118972901) is N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is SLOOWKBLRKVRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16(18-11-12-18)28(14-17-7-3-2-4-8-17)22(30)15-29-24(31)23(27-25(29)32)20-13-26-21-10-6-5-9-19(20)21/h2-10,13,16,18,23,26H,11-12,14-15H2,1H3,(H,27,32).
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118972901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).