2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C20H26N2O3 — CID 54838126

IUPAC2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-15(2)25-19-10-6-17(7-11-19)13-22-20(23)14-21-12-16-4-8-18(24-3)9-5-16/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyHUWYFFIZNHQRMW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.89
Rot. Bonds9

About 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 54838126) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID54838126
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-15(2)25-19-10-6-17(7-11-19)13-22-20(23)14-21-12-16-4-8-18(24-3)9-5-16/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyHUWYFFIZNHQRMW-UHFFFAOYSA-N
XLogP2.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
1-[(4-methoxyphenyl)methylamino]-3-methylbutan-2-one
CID 177295585
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-(2,6-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845330

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 54838126) is 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is COc1ccc(CNCC(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is HUWYFFIZNHQRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(2)25-19-10-6-17(7-11-19)13-22-20(23)14-21-12-16-4-8-18(24-3)9-5-16/h4-11,15,21H,12-14H2,1-3H3,(H,22,23).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 54838126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).