N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide

C20H25NO4 — CID 46884553

IUPACN-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide
SMILESCOc1cccc(COc2ccc(OC)cc2CCCNC(C)=O)c1
InChIInChI=1S/C20H25NO4/c1-15(22)21-11-5-7-17-13-19(24-3)9-10-20(17)25-14-16-6-4-8-18(12-16)23-2/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)
InChIKeyBXVNHHHDHBAPPO-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.35
Rot. Bonds9

About N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide

N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide (PubChem CID 46884553) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide
PubChem CID46884553
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide
SMILESCOc1cccc(COc2ccc(OC)cc2CCCNC(C)=O)c1
InChIInChI=1S/C20H25NO4/c1-15(22)21-11-5-7-17-13-19(24-3)9-10-20(17)25-14-16-6-4-8-18(12-16)23-2/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)
InChIKeyBXVNHHHDHBAPPO-UHFFFAOYSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Atomoxetine
CID 54841
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 6850813
Evenamide
CID 25105689
4-Hydroxyatomoxetine
CID 9816910
N-[3-(3-methoxyphenyl)propyl]acetamide
CID 10750842
N-isopropyl-3-(2-allyl-4-butoxy-phenoxy)propylamine
CID 10780929
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Cifea
CID 53238181
(+)-Tomoxetine
CID 6093336
Propionic acid 3-allyl-4-(3-isopropylamino-propoxy)-phenyl ester
CID 10662370
N-(3-(3-methoxyphenyl)-3-phenylallyl)acetamide
CID 16094584
Bomppa
CID 71508234

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide?
The IUPAC name of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide (CID 46884553) is N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide is COc1cccc(COc2ccc(OC)cc2CCCNC(C)=O)c1.
What is the InChIKey of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide?
The InChIKey is BXVNHHHDHBAPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15(22)21-11-5-7-17-13-19(24-3)9-10-20(17)25-14-16-6-4-8-18(12-16)23-2/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22).
What are the key properties of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide?
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide is sourced from PubChem (CID 46884553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).