N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C26H29NO3 — CID 53338538

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C(NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-18(2)23-15-10-19(3)16-24(23)30-17-25(28)27-26(20-8-6-5-7-9-20)21-11-13-22(29-4)14-12-21/h5-16,18,26H,17H2,1-4H3,(H,27,28)
InChIKeyPHAIGOVXRAXCRU-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.41
Rot. Bonds8

About N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 53338538) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID53338538
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C(NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-18(2)23-15-10-19(3)16-24(23)30-17-25(28)27-26(20-8-6-5-7-9-20)21-11-13-22(29-4)14-12-21/h5-16,18,26H,17H2,1-4H3,(H,27,28)
InChIKeyPHAIGOVXRAXCRU-UHFFFAOYSA-N
XLogP5.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17465533
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
2-(2,5-dimethylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43909084
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 53338538) is N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is COc1ccc(C(NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is PHAIGOVXRAXCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-18(2)23-15-10-19(3)16-24(23)30-17-25(28)27-26(20-8-6-5-7-9-20)21-11-13-22(29-4)14-12-21/h5-16,18,26H,17H2,1-4H3,(H,27,28).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 403.52 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 53338538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).