2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide

C22H29NO5 — CID 43876908

IUPAC2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2ccccc2C(C)C)c(OC)c1OC
InChIInChI=1S/C22H29NO5/c1-14(2)17-9-7-8-10-18(17)28-15(3)22(24)23-13-16-11-12-19(25-4)21(27-6)20(16)26-5/h7-12,14-15H,13H2,1-6H3,(H,23,24)
InChIKeyJWMAPJKLIQYJOJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.92
Rot. Bonds9

About 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide

2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (PubChem CID 43876908) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
PubChem CID43876908
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2ccccc2C(C)C)c(OC)c1OC
InChIInChI=1S/C22H29NO5/c1-14(2)17-9-7-8-10-18(17)28-15(3)22(24)23-13-16-11-12-19(25-4)21(27-6)20(16)26-5/h7-12,14-15H,13H2,1-6H3,(H,23,24)
InChIKeyJWMAPJKLIQYJOJ-UHFFFAOYSA-N
XLogP3.92
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132660138
2-(2-chlorophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132656973
(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 94049685
2-(3-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 43910190
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (CID 43876908) is 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)Oc2ccccc2C(C)C)c(OC)c1OC.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The InChIKey is JWMAPJKLIQYJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-14(2)17-9-7-8-10-18(17)28-15(3)22(24)23-13-16-11-12-19(25-4)21(27-6)20(16)26-5/h7-12,14-15H,13H2,1-6H3,(H,23,24).
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 43876908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).