4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

C22H25N3O3 — CID 95121822

IUPAC4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCN(Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O3/c1-25(14-19-3-2-10-28-19)13-15-4-6-16(7-5-15)22(27)23-18-8-9-20-17(11-18)12-21(26)24-20/h4-9,11,19H,2-3,10,12-14H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyJMOSEVRZKVZPTN-IBGZPJMESA-N
MW379.46 g/mol
LogP3.04
Rot. Bonds6

About 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (PubChem CID 95121822) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
PubChem CID95121822
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCN(Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O3/c1-25(14-19-3-2-10-28-19)13-15-4-6-16(7-5-15)22(27)23-18-8-9-20-17(11-18)12-21(26)24-20/h4-9,11,19H,2-3,10,12-14H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyJMOSEVRZKVZPTN-IBGZPJMESA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide with MolForge

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Related Compounds

4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 50983263
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
CID 66589693
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18108766
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
CID 105351851
N-[4-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaene-3-carboxamide
CID 91585325
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (CID 95121822) is 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is CN(Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1)C[C@@H]1CCCO1.
What is the InChIKey of 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The InChIKey is JMOSEVRZKVZPTN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25(14-19-3-2-10-28-19)13-15-4-6-16(7-5-15)22(27)23-18-8-9-20-17(11-18)12-21(26)24-20/h4-9,11,19H,2-3,10,12-14H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 95121822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).