3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide

C21H26ClNO4 — CID 133221280

IUPAC3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)COC)cc1COc1ccc(Cl)c(C)c1
InChIInChI=1S/C21H26ClNO4/c1-5-26-20-9-6-16(21(24)23-15(3)12-25-4)11-17(20)13-27-18-7-8-19(22)14(2)10-18/h6-11,15H,5,12-13H2,1-4H3,(H,23,24)
InChIKeyXPVQBDMJYRRUCE-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.39
Rot. Bonds9

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

3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 133221280) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
PubChem CID133221280
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)COC)cc1COc1ccc(Cl)c(C)c1
InChIInChI=1S/C21H26ClNO4/c1-5-26-20-9-6-16(21(24)23-15(3)12-25-4)11-17(20)13-27-18-7-8-19(22)14(2)10-18/h6-11,15H,5,12-13H2,1-4H3,(H,23,24)
InChIKeyXPVQBDMJYRRUCE-UHFFFAOYSA-N
XLogP4.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide
CID 133179083
3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 100713523
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
CID 133161789
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide
CID 133179107
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
3-chloro-4-[(4-chloro-3-methylphenoxy)methyl]benzoic acid
CID 102670100
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide (CID 133221280) is 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide is CCOc1ccc(C(=O)NC(C)COC)cc1COc1ccc(Cl)c(C)c1.
What is the InChIKey of 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is XPVQBDMJYRRUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-5-26-20-9-6-16(21(24)23-15(3)12-25-4)11-17(20)13-27-18-7-8-19(22)14(2)10-18/h6-11,15H,5,12-13H2,1-4H3,(H,23,24).
What are the key properties of 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide?
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 391.90 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 133221280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).