N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C21H24N2O3 — CID 91259387

IUPACN-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CC[C@H]2N[C@H](CO)Cc1ccccc1)NO
InChIInChI=1S/C21H24N2O3/c24-14-18(13-15-4-2-1-3-5-15)22-20-10-8-17-12-16(6-9-19(17)20)7-11-21(25)23-26/h1-7,9,11-12,18,20,22,24,26H,8,10,13-14H2,(H,23,25)/t18-,20+/m0/s1
InChIKeyYOKNYVKCCPBSRZ-AZUAARDMSA-N
MW352.43 g/mol
LogP2.39
Rot. Bonds7

About N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 91259387) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID91259387
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CC[C@H]2N[C@H](CO)Cc1ccccc1)NO
InChIInChI=1S/C21H24N2O3/c24-14-18(13-15-4-2-1-3-5-15)22-20-10-8-17-12-16(6-9-19(17)20)7-11-21(25)23-26/h1-7,9,11-12,18,20,22,24,26H,8,10,13-14H2,(H,23,25)/t18-,20+/m0/s1
InChIKeyYOKNYVKCCPBSRZ-AZUAARDMSA-N
XLogP2.39
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 91259387) is N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is O=C(C=Cc1ccc2c(c1)CC[C@H]2N[C@H](CO)Cc1ccccc1)NO.
What is the InChIKey of N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is YOKNYVKCCPBSRZ-AZUAARDMSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-14-18(13-15-4-2-1-3-5-15)22-20-10-8-17-12-16(6-9-19(17)20)7-11-21(25)23-26/h1-7,9,11-12,18,20,22,24,26H,8,10,13-14H2,(H,23,25)/t18-,20+/m0/s1.
What are the key properties of N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(1R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 91259387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).