3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide

C22H29NO4 — CID 133254157

IUPAC3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)COC)cc1COc1ccc(C)c(C)c1
InChIInChI=1S/C22H29NO4/c1-6-26-21-10-8-18(22(24)23-17(4)13-25-5)12-19(21)14-27-20-9-7-15(2)16(3)11-20/h7-12,17H,6,13-14H2,1-5H3,(H,23,24)
InChIKeyXJPHKFCTCYEPNN-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.05
Rot. Bonds9

About 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide

3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 133254157) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
PubChem CID133254157
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)COC)cc1COc1ccc(C)c(C)c1
InChIInChI=1S/C22H29NO4/c1-6-26-21-10-8-18(22(24)23-17(4)13-25-5)12-19(21)14-27-20-9-7-15(2)16(3)11-20/h7-12,17H,6,13-14H2,1-5H3,(H,23,24)
InChIKeyXJPHKFCTCYEPNN-UHFFFAOYSA-N
XLogP4.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133221280
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361
4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide
CID 133179083
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide
CID 133179107
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
CID 133161789
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide (CID 133254157) is 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide is CCOc1ccc(C(=O)NC(C)COC)cc1COc1ccc(C)c(C)c1.
What is the InChIKey of 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is XJPHKFCTCYEPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-6-26-21-10-8-18(22(24)23-17(4)13-25-5)12-19(21)14-27-20-9-7-15(2)16(3)11-20/h7-12,17H,6,13-14H2,1-5H3,(H,23,24).
What are the key properties of 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 371.48 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 133254157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).