4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide

C25H27NO3 — CID 133149991

IUPAC4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1ccccc1
InChIInChI=1S/C25H27NO3/c1-19(13-14-20-9-5-3-6-10-20)26-25(27)21-15-16-24(28-2)22(17-21)18-29-23-11-7-4-8-12-23/h3-12,15-17,19H,13-14,18H2,1-2H3,(H,26,27)
InChIKeyPCMVORYJIMJIJX-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.03
Rot. Bonds9

About 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide

4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 133149991) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
PubChem CID133149991
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1ccccc1
InChIInChI=1S/C25H27NO3/c1-19(13-14-20-9-5-3-6-10-20)26-25(27)21-15-16-24(28-2)22(17-21)18-29-23-11-7-4-8-12-23/h3-12,15-17,19H,13-14,18H2,1-2H3,(H,26,27)
InChIKeyPCMVORYJIMJIJX-UHFFFAOYSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide
CID 133178353
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide (CID 133149991) is 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide is COc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1ccccc1.
What is the InChIKey of 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is PCMVORYJIMJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-19(13-14-20-9-5-3-6-10-20)26-25(27)21-15-16-24(28-2)22(17-21)18-29-23-11-7-4-8-12-23/h3-12,15-17,19H,13-14,18H2,1-2H3,(H,26,27).
What are the key properties of 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide?
4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 133149991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).