N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide

C20H21NO2 — CID 111658785

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide
SMILESO=C(CCC=Cc1ccccc1)NC1c2ccccc2CC1O
InChIInChI=1S/C20H21NO2/c22-18-14-16-11-5-6-12-17(16)20(18)21-19(23)13-7-4-10-15-8-2-1-3-9-15/h1-6,8-12,18,20,22H,7,13-14H2,(H,21,23)
InChIKeyUMDRWPWBIUIYHV-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.25
Rot. Bonds5

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide (PubChem CID 111658785) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide
PubChem CID111658785
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide
SMILESO=C(CCC=Cc1ccccc1)NC1c2ccccc2CC1O
InChIInChI=1S/C20H21NO2/c22-18-14-16-11-5-6-12-17(16)20(18)21-19(23)13-7-4-10-15-8-2-1-3-9-15/h1-6,8-12,18,20,22H,7,13-14H2,(H,21,23)
InChIKeyUMDRWPWBIUIYHV-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide
CID 103816948
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
CID 114028589
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 111658786
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hept-6-ynamide
CID 103909354

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide (CID 111658785) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide is O=C(CCC=Cc1ccccc1)NC1c2ccccc2CC1O.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide?
The InChIKey is UMDRWPWBIUIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-18-14-16-11-5-6-12-17(16)20(18)21-19(23)13-7-4-10-15-8-2-1-3-9-15/h1-6,8-12,18,20,22H,7,13-14H2,(H,21,23).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide has a molecular weight of 307.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-phenylpent-4-enamide is sourced from PubChem (CID 111658785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).