2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

C20H26N2O5 — CID 55680128

IUPAC2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCOc1cccc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5/c1-5-9-27-16-8-6-7-14(10-16)21-13-19(23)22-15-11-17(24-2)20(26-4)18(12-15)25-3/h6-8,10-12,21H,5,9,13H2,1-4H3,(H,22,23)
InChIKeyWPOQSVFDKNJXGW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.55
Rot. Bonds10

About 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 55680128) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID55680128
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCOc1cccc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5/c1-5-9-27-16-8-6-7-14(10-16)21-13-19(23)22-15-11-17(24-2)20(26-4)18(12-15)25-3/h6-8,10-12,21H,5,9,13H2,1-4H3,(H,22,23)
InChIKeyWPOQSVFDKNJXGW-UHFFFAOYSA-N
XLogP3.55
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 55680128) is 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is CCCOc1cccc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is WPOQSVFDKNJXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-5-9-27-16-8-6-7-14(10-16)21-13-19(23)22-15-11-17(24-2)20(26-4)18(12-15)25-3/h6-8,10-12,21H,5,9,13H2,1-4H3,(H,22,23).
What are the key properties of 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 55680128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).