N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide

C20H23NO3 — CID 71803556

IUPACN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C20H23NO3/c1-15(24-18-9-3-2-4-10-18)19(22)21-14-20(23)12-11-16-7-5-6-8-17(16)13-20/h2-10,15,23H,11-14H2,1H3,(H,21,22)
InChIKeyPLGPEBMTHQBOCI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.49
Rot. Bonds5

About N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide (PubChem CID 71803556) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide
PubChem CID71803556
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C20H23NO3/c1-15(24-18-9-3-2-4-10-18)19(22)21-14-20(23)12-11-16-7-5-6-8-17(16)13-20/h2-10,15,23H,11-14H2,1H3,(H,21,22)
InChIKeyPLGPEBMTHQBOCI-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea
CID 97042727
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide
CID 99820281
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
CID 107301902
N-ethyl-2-phenoxypropanamide
CID 4282518
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3,5-dimethoxybenzamide
CID 71803567
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
2-(ethylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62775085
(2R)-2-methoxy-N-[[1-(phenoxymethyl)cyclopropyl]methyl]propanamide
CID 126423849
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide (CID 71803556) is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide?
The InChIKey is PLGPEBMTHQBOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(24-18-9-3-2-4-10-18)19(22)21-14-20(23)12-11-16-7-5-6-8-17(16)13-20/h2-10,15,23H,11-14H2,1H3,(H,21,22).
What are the key properties of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide?
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide has a molecular weight of 325.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 71803556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).