N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide

C26H32N4O3 — CID 139010276

IUPACN'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide
SMILESCN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-29(16-5-15-27-24(31)21-7-4-8-21)26(33)25(32)28-22-12-10-19(11-13-22)18-30-17-14-20-6-2-3-9-23(20)30/h2-3,6,9-13,21H,4-5,7-8,14-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyTUGFOZLDZLTLSX-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.95
Rot. Bonds8

About N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide

N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide (PubChem CID 139010276) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide
PubChem CID139010276
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide
SMILESCN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-29(16-5-15-27-24(31)21-7-4-8-21)26(33)25(32)28-22-12-10-19(11-13-22)18-30-17-14-20-6-2-3-9-23(20)30/h2-3,6,9-13,21H,4-5,7-8,14-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyTUGFOZLDZLTLSX-UHFFFAOYSA-N
XLogP2.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide
CID 142743440
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-(dimethylamino)propyl]benzamide
CID 92682379
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119866803
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851186
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
CID 120565087

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide?
The IUPAC name of N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide (CID 139010276) is N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide.
What is the SMILES notation for N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide?
The canonical SMILES for N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide is CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide?
The InChIKey is TUGFOZLDZLTLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-29(16-5-15-27-24(31)21-7-4-8-21)26(33)25(32)28-22-12-10-19(11-13-22)18-30-17-14-20-6-2-3-9-23(20)30/h2-3,6,9-13,21H,4-5,7-8,14-18H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide?
N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide has a molecular weight of 448.57 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclobutanecarbonylamino)propyl]-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-N'-methyloxamide is sourced from PubChem (CID 139010276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).