3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide

C20H25NO2 — CID 110307646

IUPAC3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCc2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-15-5-4-6-17(13-15)11-12-21-20(22)14-16(2)18-7-9-19(23-3)10-8-18/h4-10,13,16H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyYGESZIFPVCMQKT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.86
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide

3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide (PubChem CID 110307646) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
PubChem CID110307646
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCc2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-15-5-4-6-17(13-15)11-12-21-20(22)14-16(2)18-7-9-19(23-3)10-8-18/h4-10,13,16H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyYGESZIFPVCMQKT-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110838222
3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
CID 110311190
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
CID 86875243
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 100784037
2-(2-methoxyphenoxy)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 110288618
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide (CID 110307646) is 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide is COc1ccc(C(C)CC(=O)NCCc2cccc(C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide?
The InChIKey is YGESZIFPVCMQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-5-4-6-17(13-15)11-12-21-20(22)14-16(2)18-7-9-19(23-3)10-8-18/h4-10,13,16H,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide?
3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 110307646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).