N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide

C29H31N5O3 — CID 22410287

IUPACN-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
SMILESCCN(CC)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(NC(C)=O)cc21
InChIInChI=1S/C29H31N5O3/c1-4-33(5-2)13-8-14-34-17-23(21-12-11-19(15-25(21)34)31-18(3)35)27-26(28(36)32-29(27)37)22-16-30-24-10-7-6-9-20(22)24/h6-7,9-12,15-17,30H,4-5,8,13-14H2,1-3H3,(H,31,35)(H,32,36,37)
InChIKeyYSXGDMFLCXAKOE-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.38
Rot. Bonds9

About N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide

N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide (PubChem CID 22410287) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
PubChem CID22410287
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
SMILESCCN(CC)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(NC(C)=O)cc21
InChIInChI=1S/C29H31N5O3/c1-4-33(5-2)13-8-14-34-17-23(21-12-11-19(15-25(21)34)31-18(3)35)27-26(28(36)32-29(27)37)22-16-30-24-10-7-6-9-20(22)24/h6-7,9-12,15-17,30H,4-5,8,13-14H2,1-3H3,(H,31,35)(H,32,36,37)
InChIKeyYSXGDMFLCXAKOE-UHFFFAOYSA-N
XLogP4.38
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
CID 22410110
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-piperidin-1-ylpropyl)indol-6-yl]acetamide
CID 22410654
3-[1-[3-(diethylamino)propyl]-5-(trifluoromethyl)indol-3-yl]-4-[5-(trifluoromethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 22410399
3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409408
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410250
3-(1H-indol-3-yl)-4-[6-methyl-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410599
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
3-[1-[3-(diethylamino)propyl]-4-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409474
3-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652
3-[1-[3-(diethylamino)propyl]-7-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409374
3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410023

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The IUPAC name of N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide (CID 22410287) is N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide.
What is the SMILES notation for N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The canonical SMILES for N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide is CCN(CC)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(NC(C)=O)cc21.
What is the InChIKey of N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The InChIKey is YSXGDMFLCXAKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-4-33(5-2)13-8-14-34-17-23(21-12-11-19(15-25(21)34)31-18(3)35)27-26(28(36)32-29(27)37)22-16-30-24-10-7-6-9-20(22)24/h6-7,9-12,15-17,30H,4-5,8,13-14H2,1-3H3,(H,31,35)(H,32,36,37).
What are the key properties of N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide has a molecular weight of 497.60 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide is sourced from PubChem (CID 22410287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).