3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide

C22H25NO3 — CID 58655144

IUPAC3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide
SMILESC#CCOc1ccc(C(C)CC(=O)NCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H25NO3/c1-5-12-26-20-11-10-19(14-21(20)25-4)17(3)13-22(24)23-15-18-8-6-16(2)7-9-18/h1,6-11,14,17H,12-13,15H2,2-4H3,(H,23,24)
InChIKeyCFBJMTXWHATKHQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.83
Rot. Bonds8

About 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide

3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 58655144) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID58655144
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide
SMILESC#CCOc1ccc(C(C)CC(=O)NCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H25NO3/c1-5-12-26-20-11-10-19(14-21(20)25-4)17(3)13-22(24)23-15-18-8-6-16(2)7-9-18/h1,6-11,14,17H,12-13,15H2,2-4H3,(H,23,24)
InChIKeyCFBJMTXWHATKHQ-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide 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

N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)-2-prop-2-ynoxyacetamide
CID 23446818
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenyl)-2-prop-2-ynoxypropanamide
CID 87498581
(2S)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenyl)-2-prop-2-ynoxypropanamide
CID 87499700
2-(ethylsulfonylamino)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 11442156
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)-2-prop-2-ynoxyethanethioamide
CID 87905848
2-(ethenylsulfonylamino)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 11476256
N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
CID 58655122
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 46761764
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
N-[(4-chlorophenyl)methyl]-2-fluoro-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
CID 23087644
(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide
CID 87258755

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide (CID 58655144) is 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide is C#CCOc1ccc(C(C)CC(=O)NCc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is CFBJMTXWHATKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-5-12-26-20-11-10-19(14-21(20)25-4)17(3)13-22(24)23-15-18-8-6-16(2)7-9-18/h1,6-11,14,17H,12-13,15H2,2-4H3,(H,23,24).
What are the key properties of 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide?
3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 351.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 58655144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).