N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide

C22H23NO3 — CID 101161983

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide
SMILESCOC(C(=O)N[C@H](CO)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-26-21(20-13-7-11-17-10-5-6-12-19(17)20)22(25)23-18(15-24)14-16-8-3-2-4-9-16/h2-13,18,21,24H,14-15H2,1H3,(H,23,25)/t18-,21?/m0/s1
InChIKeyHHSUWVFLEGHFJC-YMXDCFFPSA-N
MW349.43 g/mol
LogP3.25
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide (PubChem CID 101161983) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide
PubChem CID101161983
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide
SMILESCOC(C(=O)N[C@H](CO)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-26-21(20-13-7-11-17-10-5-6-12-19(17)20)22(25)23-18(15-24)14-16-8-3-2-4-9-16/h2-13,18,21,24H,14-15H2,1H3,(H,23,25)/t18-,21?/m0/s1
InChIKeyHHSUWVFLEGHFJC-YMXDCFFPSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide
CID 101263292
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
(2S)-N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]-2-[[(2S)-3-(4-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanoyl]amino]-3-methylbutanamide
CID 139990099
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
CID 63261414
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide (CID 101161983) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide is COC(C(=O)N[C@H](CO)Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide?
The InChIKey is HHSUWVFLEGHFJC-YMXDCFFPSA-N. The full InChI is InChI=1S/C22H23NO3/c1-26-21(20-13-7-11-17-10-5-6-12-19(17)20)22(25)23-18(15-24)14-16-8-3-2-4-9-16/h2-13,18,21,24H,14-15H2,1H3,(H,23,25)/t18-,21?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide has a molecular weight of 349.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 101161983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).