3-butoxy-2-(2-methoxyphenoxy)benzamide

C18H21NO4 — CID 118525333

IUPAC3-butoxy-2-(2-methoxyphenoxy)benzamide
SMILESCCCCOc1cccc(C(N)=O)c1Oc1ccccc1OC
InChIInChI=1S/C18H21NO4/c1-3-4-12-22-16-11-7-8-13(18(19)20)17(16)23-15-10-6-5-9-14(15)21-2/h5-11H,3-4,12H2,1-2H3,(H2,19,20)
InChIKeyHMPRIOPDOZPJLG-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.77
Rot. Bonds8

About 3-butoxy-2-(2-methoxyphenoxy)benzamide

3-butoxy-2-(2-methoxyphenoxy)benzamide (PubChem CID 118525333) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-butoxy-2-(2-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name3-butoxy-2-(2-methoxyphenoxy)benzamide
PubChem CID118525333
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-butoxy-2-(2-methoxyphenoxy)benzamide
SMILESCCCCOc1cccc(C(N)=O)c1Oc1ccccc1OC
InChIInChI=1S/C18H21NO4/c1-3-4-12-22-16-11-7-8-13(18(19)20)17(16)23-15-10-6-5-9-14(15)21-2/h5-11H,3-4,12H2,1-2H3,(H2,19,20)
InChIKeyHMPRIOPDOZPJLG-UHFFFAOYSA-N
XLogP3.77
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.77
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

2-(2-butoxyphenyl)benzamide
CID 174985404
3-butoxy-2-methoxybenzoic acid
CID 82161610
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide
CID 47066495
3-amino-2-nonoxybenzamide
CID 107873437
2-ethyl-3-pentoxybenzamide
CID 67228177
2,3-dimethoxybenzamide;hydrate
CID 141005510
3-methoxy-2-pentoxybenzenecarbothioamide
CID 20987605
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
2,3,4-tridodecoxybenzamide
CID 172754331
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
methyl 2-amino-3-butoxybenzoate
CID 61039982

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-(2-methoxyphenoxy)benzamide?
The IUPAC name of 3-butoxy-2-(2-methoxyphenoxy)benzamide (CID 118525333) is 3-butoxy-2-(2-methoxyphenoxy)benzamide.
What is the SMILES notation for 3-butoxy-2-(2-methoxyphenoxy)benzamide?
The canonical SMILES for 3-butoxy-2-(2-methoxyphenoxy)benzamide is CCCCOc1cccc(C(N)=O)c1Oc1ccccc1OC.
What is the InChIKey of 3-butoxy-2-(2-methoxyphenoxy)benzamide?
The InChIKey is HMPRIOPDOZPJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-3-4-12-22-16-11-7-8-13(18(19)20)17(16)23-15-10-6-5-9-14(15)21-2/h5-11H,3-4,12H2,1-2H3,(H2,19,20).
What are the key properties of 3-butoxy-2-(2-methoxyphenoxy)benzamide?
3-butoxy-2-(2-methoxyphenoxy)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-(2-methoxyphenoxy)benzamide is sourced from PubChem (CID 118525333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).