N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide

C21H23N3O2 — CID 111332264

IUPACN-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide
SMILESN#Cc1ccc(NC(=O)CCN(CCO)C2CCc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c22-15-16-5-8-18(9-6-16)23-21(26)11-12-24(13-14-25)20-10-7-17-3-1-2-4-19(17)20/h1-6,8-9,20,25H,7,10-14H2,(H,23,26)
InChIKeySCWKEFSAOHGLMR-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.87
Rot. Bonds7

About N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide

N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide (PubChem CID 111332264) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide
PubChem CID111332264
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide
SMILESN#Cc1ccc(NC(=O)CCN(CCO)C2CCc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c22-15-16-5-8-18(9-6-16)23-21(26)11-12-24(13-14-25)20-10-7-17-3-1-2-4-19(17)20/h1-6,8-9,20,25H,7,10-14H2,(H,23,26)
InChIKeySCWKEFSAOHGLMR-UHFFFAOYSA-N
XLogP2.87
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
N-(4-acetylphenyl)-3-[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)amino]propanamide
CID 56524925
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140
3-[[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]methyl]-4-fluorobenzonitrile
CID 111333733
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide (CID 111332264) is N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide is N#Cc1ccc(NC(=O)CCN(CCO)C2CCc3ccccc32)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide?
The InChIKey is SCWKEFSAOHGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-15-16-5-8-18(9-6-16)23-21(26)11-12-24(13-14-25)20-10-7-17-3-1-2-4-19(17)20/h1-6,8-9,20,25H,7,10-14H2,(H,23,26).
What are the key properties of N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide?
N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 111332264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).