3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C22H25N3O3 — CID 54810727

IUPAC3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CN1CCc2ccccc21)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H25N3O3/c26-21(15-25-11-10-16-5-1-2-9-20(16)25)24-18-7-3-6-17(13-18)22(27)23-14-19-8-4-12-28-19/h1-3,5-7,9,13,19H,4,8,10-12,14-15H2,(H,23,27)(H,24,26)
InChIKeyDNVDUFIWAOYHGZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.60
Rot. Bonds6

About 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54810727) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54810727
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CN1CCc2ccccc21)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H25N3O3/c26-21(15-25-11-10-16-5-1-2-9-20(16)25)24-18-7-3-6-17(13-18)22(27)23-14-19-8-4-12-28-19/h1-3,5-7,9,13,19H,4,8,10-12,14-15H2,(H,23,27)(H,24,26)
InChIKeyDNVDUFIWAOYHGZ-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8659450
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579
N-(oxolan-2-ylmethyl)-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841657
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787348

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54810727) is 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CN1CCc2ccccc21)Nc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DNVDUFIWAOYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(15-25-11-10-16-5-1-2-9-20(16)25)24-18-7-3-6-17(13-18)22(27)23-14-19-8-4-12-28-19/h1-3,5-7,9,13,19H,4,8,10-12,14-15H2,(H,23,27)(H,24,26).
What are the key properties of 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54810727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).