N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide

C20H20N4O3 — CID 26933063

IUPACN-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N4O3/c25-18(10-11-21-20(27)14-6-2-1-3-7-14)23-24-19(26)12-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,22H,10-12H2,(H,21,27)(H,23,25)(H,24,26)
InChIKeyNTQUQJZRELVNKC-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.68
Rot. Bonds6

About N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide

N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 26933063) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID26933063
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N4O3/c25-18(10-11-21-20(27)14-6-2-1-3-7-14)23-24-19(26)12-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,22H,10-12H2,(H,21,27)(H,23,25)(H,24,26)
InChIKeyNTQUQJZRELVNKC-UHFFFAOYSA-N
XLogP1.68
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide
CID 39757148
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 55822838
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 26933063) is N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is NTQUQJZRELVNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18(10-11-21-20(27)14-6-2-1-3-7-14)23-24-19(26)12-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,22H,10-12H2,(H,21,27)(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 26933063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).