N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide

C22H26N2O3 — CID 95120127

IUPACN-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide
SMILESO=C(Nc1cccc2c1CCC2)c1ccc(CN2CCOC[C@H]2CO)cc1
InChIInChI=1S/C22H26N2O3/c25-14-19-15-27-12-11-24(19)13-16-7-9-18(10-8-16)22(26)23-21-6-2-4-17-3-1-5-20(17)21/h2,4,6-10,19,25H,1,3,5,11-15H2,(H,23,26)/t19-/m1/s1
InChIKeyKMDUWNJNQPDDIW-LJQANCHMSA-N
MW366.46 g/mol
LogP2.62
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide

N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide (PubChem CID 95120127) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide
PubChem CID95120127
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide
SMILESO=C(Nc1cccc2c1CCC2)c1ccc(CN2CCOC[C@H]2CO)cc1
InChIInChI=1S/C22H26N2O3/c25-14-19-15-27-12-11-24(19)13-16-7-9-18(10-8-16)22(26)23-21-6-2-4-17-3-1-5-20(17)21/h2,4,6-10,19,25H,1,3,5,11-15H2,(H,23,26)/t19-/m1/s1
InChIKeyKMDUWNJNQPDDIW-LJQANCHMSA-N
XLogP2.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide with MolForge

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Related Compounds

4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 42967013
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CID 18169235
4-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 62238146
(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
CID 99630364
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26516166
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 26516045
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24614256
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide (CID 95120127) is N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide is O=C(Nc1cccc2c1CCC2)c1ccc(CN2CCOC[C@H]2CO)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide?
The InChIKey is KMDUWNJNQPDDIW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-14-19-15-27-12-11-24(19)13-16-7-9-18(10-8-16)22(26)23-21-6-2-4-17-3-1-5-20(17)21/h2,4,6-10,19,25H,1,3,5,11-15H2,(H,23,26)/t19-/m1/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide?
N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-4-[[(3R)-3-(hydroxymethyl)morpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 95120127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).