N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide

C18H19NO2 — CID 70273214

IUPACN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
SMILESCC(C(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12(13-7-3-2-4-8-13)18(21)19-17-15-10-6-5-9-14(15)11-16(17)20/h2-10,12,16-17,20H,11H2,1H3,(H,19,21)/t12?,16-,17-/m1/s1
InChIKeyIHKHJDNYAKDPKP-RIJFORKLSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds3

About N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide

N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide (PubChem CID 70273214) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
PubChem CID70273214
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
SMILESCC(C(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12(13-7-3-2-4-8-13)18(21)19-17-15-10-6-5-9-14(15)11-16(17)20/h2-10,12,16-17,20H,11H2,1H3,(H,19,21)/t12?,16-,17-/m1/s1
InChIKeyIHKHJDNYAKDPKP-RIJFORKLSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide
CID 111696460
(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
CID 97237159
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616
2-ethoxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 136518623
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
2-acetamido-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103625684
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065
[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 69464316

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide (CID 70273214) is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide is CC(C(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide?
The InChIKey is IHKHJDNYAKDPKP-RIJFORKLSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(13-7-3-2-4-8-13)18(21)19-17-15-10-6-5-9-14(15)11-16(17)20/h2-10,12,16-17,20H,11H2,1H3,(H,19,21)/t12?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide?
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide is sourced from PubChem (CID 70273214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).