3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide

C21H27NO3 — CID 45351975

IUPAC3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
SMILESCCC(CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-5-16(17-9-7-6-8-10-17)14-22-21(23)18-11-12-19(25-15(2)3)20(13-18)24-4/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyKOTGHDZNXULCPJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.41
Rot. Bonds8

About 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide

3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide (PubChem CID 45351975) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
PubChem CID45351975
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
SMILESCCC(CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-5-16(17-9-7-6-8-10-17)14-22-21(23)18-11-12-19(25-15(2)3)20(13-18)24-4/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyKOTGHDZNXULCPJ-UHFFFAOYSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
CID 55773551
2-benzyl-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 119233654
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548500
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide (CID 45351975) is 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide is CCC(CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1.
What is the InChIKey of 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide?
The InChIKey is KOTGHDZNXULCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-16(17-9-7-6-8-10-17)14-22-21(23)18-11-12-19(25-15(2)3)20(13-18)24-4/h6-13,15-16H,5,14H2,1-4H3,(H,22,23).
What are the key properties of 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide?
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide has a molecular weight of 341.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 45351975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).