N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide

C22H23NO4 — CID 17070225

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H23NO4/c1-15(27-19-10-9-17-6-4-5-7-18(17)13-19)22(24)23-14-16-8-11-20(25-2)21(12-16)26-3/h4-13,15H,14H2,1-3H3,(H,23,24)
InChIKeyVKDKPNWIPGAHPL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.94
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide (PubChem CID 17070225) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
PubChem CID17070225
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H23NO4/c1-15(27-19-10-9-17-6-4-5-7-18(17)13-19)22(24)23-14-16-8-11-20(25-2)21(12-16)26-3/h4-13,15H,14H2,1-3H3,(H,23,24)
InChIKeyVKDKPNWIPGAHPL-UHFFFAOYSA-N
XLogP3.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide
CID 40817451
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-iodophenoxy)propanamide
CID 25466275
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-nitrophenoxy)propanamide
CID 17374683
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide (CID 17070225) is N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide is COc1ccc(CNC(=O)C(C)Oc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
The InChIKey is VKDKPNWIPGAHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15(27-19-10-9-17-6-4-5-7-18(17)13-19)22(24)23-14-16-8-11-20(25-2)21(12-16)26-3/h4-13,15H,14H2,1-3H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide has a molecular weight of 365.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 17070225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).