N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide

C19H23NO3 — CID 46884554

IUPACN-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
SMILESCOc1cc(CCCNC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-15(21)20-12-6-9-16-10-11-18(19(13-16)22-2)23-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21)
InChIKeyCKTYNRYIIZDJHS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.34
Rot. Bonds8

About N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide

N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide (PubChem CID 46884554) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
PubChem CID46884554
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
SMILESCOc1cc(CCCNC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-15(21)20-12-6-9-16-10-11-18(19(13-16)22-2)23-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21)
InChIKeyCKTYNRYIIZDJHS-UHFFFAOYSA-N
XLogP3.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide
CID 121493797
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
1,3-dibutyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42705085
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide?
The IUPAC name of N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide (CID 46884554) is N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide is COc1cc(CCCNC(C)=O)ccc1OCc1ccccc1.
What is the InChIKey of N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide?
The InChIKey is CKTYNRYIIZDJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(21)20-12-6-9-16-10-11-18(19(13-16)22-2)23-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide?
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 46884554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).