2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

C21H26ClNO5 — CID 132663080

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H26ClNO5/c1-6-17(28-15-7-8-16(22)13(2)9-15)21(24)23-12-14-10-18(25-3)20(27-5)19(11-14)26-4/h7-11,17H,6,12H2,1-5H3,(H,23,24)
InChIKeyBJEMNNXFRKTQBL-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.15
Rot. Bonds9

About 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (PubChem CID 132663080) has the molecular formula C21H26ClNO5 and a molecular weight of 407.89 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
PubChem CID132663080
Molecular FormulaC21H26ClNO5
Molecular Weight407.89 g/mol
Exact Mass407.15
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H26ClNO5/c1-6-17(28-15-7-8-16(22)13(2)9-15)21(24)23-12-14-10-18(25-3)20(27-5)19(11-14)26-4/h7-11,17H,6,12H2,1-5H3,(H,23,24)
InChIKeyBJEMNNXFRKTQBL-UHFFFAOYSA-N
XLogP4.15
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99133250
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54785489
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (CID 132663080) is 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The InChIKey is BJEMNNXFRKTQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO5/c1-6-17(28-15-7-8-16(22)13(2)9-15)21(24)23-12-14-10-18(25-3)20(27-5)19(11-14)26-4/h7-11,17H,6,12H2,1-5H3,(H,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide has a molecular weight of 407.89 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 132663080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).