4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide

C24H31NO4 — CID 133238905

IUPAC4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CCCO2)cc1COc1ccccc1C(C)C
InChIInChI=1S/C24H31NO4/c1-4-27-22-12-11-18(24(26)25-15-20-8-7-13-28-20)14-19(22)16-29-23-10-6-5-9-21(23)17(2)3/h5-6,9-12,14,17,20H,4,7-8,13,15-16H2,1-3H3,(H,25,26)
InChIKeyDZILZXOGLJMJAW-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.70
Rot. Bonds9

About 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide

4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide (PubChem CID 133238905) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide
PubChem CID133238905
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CCCO2)cc1COc1ccccc1C(C)C
InChIInChI=1S/C24H31NO4/c1-4-27-22-12-11-18(24(26)25-15-20-8-7-13-28-20)14-19(22)16-29-23-10-6-5-9-21(23)17(2)3/h5-6,9-12,14,17,20H,4,7-8,13,15-16H2,1-3H3,(H,25,26)
InChIKeyDZILZXOGLJMJAW-UHFFFAOYSA-N
XLogP4.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195
4-ethoxy-3-(ethoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133149981
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzamide
CID 30393276
2-methyl-1-(oxolan-2-ylmethyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111560771
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
2-(2-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049972
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
The IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide (CID 133238905) is 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide is CCOc1ccc(C(=O)NCC2CCCO2)cc1COc1ccccc1C(C)C.
What is the InChIKey of 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
The InChIKey is DZILZXOGLJMJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-27-22-12-11-18(24(26)25-15-20-8-7-13-28-20)14-19(22)16-29-23-10-6-5-9-21(23)17(2)3/h5-6,9-12,14,17,20H,4,7-8,13,15-16H2,1-3H3,(H,25,26).
What are the key properties of 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide?
4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(oxolan-2-ylmethyl)-3-[(2-propan-2-ylphenoxy)methyl]benzamide is sourced from PubChem (CID 133238905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).