2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide

C26H30N4O3 — CID 110200203

IUPAC2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C26H30N4O3/c31-24(15-20-17-28-22-12-6-5-11-21(20)22)29-18-26(33)30-14-8-2-7-13-27-25(32)16-23(30)19-9-3-1-4-10-19/h1,3-6,9-12,17,23,28H,2,7-8,13-16,18H2,(H,27,32)(H,29,31)
InChIKeyGDTGNHUDVNQCNW-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.09
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide (PubChem CID 110200203) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
PubChem CID110200203
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C26H30N4O3/c31-24(15-20-17-28-22-12-6-5-11-21(20)22)29-18-26(33)30-14-8-2-7-13-27-25(32)16-23(30)19-9-3-1-4-10-19/h1,3-6,9-12,17,23,28H,2,7-8,13-16,18H2,(H,27,32)(H,29,31)
InChIKeyGDTGNHUDVNQCNW-UHFFFAOYSA-N
XLogP3.09
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-pyridin-4-ylacetamide
CID 110200231
2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
CID 110202264
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
CID 110200185
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
CID 110202252
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
CID 110200135
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198
2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide
CID 110200188
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea
CID 110200278

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide (CID 110200203) is 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The InChIKey is GDTGNHUDVNQCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-24(15-20-17-28-22-12-6-5-11-21(20)22)29-18-26(33)30-14-8-2-7-13-27-25(32)16-23(30)19-9-3-1-4-10-19/h1,3-6,9-12,17,23,28H,2,7-8,13-16,18H2,(H,27,32)(H,29,31).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide is sourced from PubChem (CID 110200203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).