2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide

C18H21NO5 — CID 2991764

IUPAC2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-12(24-14-8-6-5-7-9-14)18(20)19-13-10-15(21-2)17(23-4)16(11-13)22-3/h5-12H,1-4H3,(H,19,20)
InChIKeyVKXPYKILPWRZBE-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds7

About 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide

2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2991764) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2991764
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-12(24-14-8-6-5-7-9-14)18(20)19-13-10-15(21-2)17(23-4)16(11-13)22-3/h5-12H,1-4H3,(H,19,20)
InChIKeyVKXPYKILPWRZBE-UHFFFAOYSA-N
XLogP3.12
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 18083742
dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate
CID 1353243
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-[3-methoxy-4-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxypropanamide
CID 2972138
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3,4,5-trimethoxybenzoate
CID 3451323
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide (CID 2991764) is 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)C(C)Oc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is VKXPYKILPWRZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-12(24-14-8-6-5-7-9-14)18(20)19-13-10-15(21-2)17(23-4)16(11-13)22-3/h5-12H,1-4H3,(H,19,20).
What are the key properties of 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2991764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).