2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide

C27H29N3O3 — CID 92684563

IUPAC2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C27H29N3O3/c1-33-18-6-16-28-27(32)23-8-3-4-9-24(23)29-26(31)22-13-11-20(12-14-22)19-30-17-15-21-7-2-5-10-25(21)30/h2-5,7-14H,6,15-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyHCKUKXGVLJVSML-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.27
Rot. Bonds9

About 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide

2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 92684563) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID92684563
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C27H29N3O3/c1-33-18-6-16-28-27(32)23-8-3-4-9-24(23)29-26(31)22-13-11-20(12-14-22)19-30-17-15-21-7-2-5-10-25(21)30/h2-5,7-14H,6,15-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyHCKUKXGVLJVSML-UHFFFAOYSA-N
XLogP4.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 38019865
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 92684505
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 1316796

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide (CID 92684563) is 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is HCKUKXGVLJVSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-18-6-16-28-27(32)23-8-3-4-9-24(23)29-26(31)22-13-11-20(12-14-22)19-30-17-15-21-7-2-5-10-25(21)30/h2-5,7-14H,6,15-19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide?
2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 92684563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).