N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide

C20H25NO3 — CID 30384331

IUPACN-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCOc1cccc(CNC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H25NO3/c1-4-23-19-7-5-6-16(12-19)13-21-20(22)14-24-18-10-8-17(9-11-18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,21,22)
InChIKeyPCDCMMJBESDRTN-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.90
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 30384331) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID30384331
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCOc1cccc(CNC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H25NO3/c1-4-23-19-7-5-6-16(12-19)13-21-20(22)14-24-18-10-8-17(9-11-18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,21,22)
InChIKeyPCDCMMJBESDRTN-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-[3-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246779
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
N-[(3-ethoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 51606702
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 30384331) is N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide is CCOc1cccc(CNC(=O)COc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is PCDCMMJBESDRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-23-19-7-5-6-16(12-19)13-21-20(22)14-24-18-10-8-17(9-11-18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 30384331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).