4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide

C27H31NO4 — CID 133254130

IUPAC4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1cccc(OC)c1
InChIInChI=1S/C27H31NO4/c1-4-31-26-16-15-22(17-23(26)19-32-25-12-8-11-24(18-25)30-3)27(29)28-20(2)13-14-21-9-6-5-7-10-21/h5-12,15-18,20H,4,13-14,19H2,1-3H3,(H,28,29)
InChIKeyCCXGWVSKMSULSC-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.42
Rot. Bonds11

About 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide

4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 133254130) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID133254130
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1cccc(OC)c1
InChIInChI=1S/C27H31NO4/c1-4-31-26-16-15-22(17-23(26)19-32-25-12-8-11-24(18-25)30-3)27(29)28-20(2)13-14-21-9-6-5-7-10-21/h5-12,15-18,20H,4,13-14,19H2,1-3H3,(H,28,29)
InChIKeyCCXGWVSKMSULSC-UHFFFAOYSA-N
XLogP5.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 133149991
3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361
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-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide
CID 133179083
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566
4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide
CID 133178353
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133254157
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133221280
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide (CID 133254130) is 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide is CCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1cccc(OC)c1.
What is the InChIKey of 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is CCXGWVSKMSULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-4-31-26-16-15-22(17-23(26)19-32-25-12-8-11-24(18-25)30-3)27(29)28-20(2)13-14-21-9-6-5-7-10-21/h5-12,15-18,20H,4,13-14,19H2,1-3H3,(H,28,29).
What are the key properties of 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide?
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 433.55 g/mol, XLogP of 5.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 133254130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).