N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide

C22H21NO2 — CID 91155586

IUPACN-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(C=CC(=O)N[C@@H](CO)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H21NO2/c1-16-5-4-6-17(13-16)9-12-22(25)23-21(15-24)20-11-10-18-7-2-3-8-19(18)14-20/h2-14,21,24H,15H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyHJMLIJBIACTCMW-NRFANRHFSA-N
MW331.42 g/mol
LogP4.01
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide

N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 91155586) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID91155586
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(C=CC(=O)N[C@@H](CO)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H21NO2/c1-16-5-4-6-17(13-16)9-12-22(25)23-21(15-24)20-11-10-18-7-2-3-8-19(18)14-20/h2-14,21,24H,15H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyHJMLIJBIACTCMW-NRFANRHFSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 77065093
N-[(1R,2S)-2,3-dihydroxy-1-naphthalen-2-ylpropyl]-3-(4-methylphenyl)prop-2-enamide
CID 90900808
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307
(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-enamide
CID 58516502
N-(1-hydroxy-4-methylpentan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 61246342
(2R)-2-[3-(3-methylphenyl)prop-2-enoylamino]propanoic acid
CID 78972886
ethyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15364975
methyl (2S)-3-hydroxy-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]propanoate
CID 175887307
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
(2S)-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]butanedioic acid
CID 112733045

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide (CID 91155586) is N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(C=CC(=O)N[C@@H](CO)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is HJMLIJBIACTCMW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16-5-4-6-17(13-16)9-12-22(25)23-21(15-24)20-11-10-18-7-2-3-8-19(18)14-20/h2-14,21,24H,15H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide?
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 91155586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).