N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide

C21H21NO3 — CID 53282955

IUPACN-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
SMILESCOc1cccc(CNC(=O)C(C)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO3/c1-15(21(23)22-14-16-6-5-9-19(12-16)24-2)25-20-11-10-17-7-3-4-8-18(17)13-20/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyCTNCVUYRKMVPFW-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.93
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide

N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide (PubChem CID 53282955) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
PubChem CID53282955
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
SMILESCOc1cccc(CNC(=O)C(C)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO3/c1-15(21(23)22-14-16-6-5-9-19(12-16)24-2)25-20-11-10-17-7-3-4-8-18(17)13-20/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyCTNCVUYRKMVPFW-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949497
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 60545308
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086721
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide (CID 53282955) is N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide is COc1cccc(CNC(=O)C(C)Oc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
The InChIKey is CTNCVUYRKMVPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-15(21(23)22-14-16-6-5-9-19(12-16)24-2)25-20-11-10-17-7-3-4-8-18(17)13-20/h3-13,15H,14H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide has a molecular weight of 335.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 53282955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).