N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide

C21H28N2O4 — CID 60525101

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide
SMILESCOc1cc(CNC(=O)CN(C)c2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C21H28N2O4/c1-14-8-7-9-17(15(14)2)23(3)13-20(24)22-12-16-10-18(25-4)21(27-6)19(11-16)26-5/h7-11H,12-13H2,1-6H3,(H,22,24)
InChIKeyIYTLIJIBTCJVIT-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.08
Rot. Bonds8

About N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide

N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide (PubChem CID 60525101) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide
PubChem CID60525101
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide
SMILESCOc1cc(CNC(=O)CN(C)c2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C21H28N2O4/c1-14-8-7-9-17(15(14)2)23(3)13-20(24)22-12-16-10-18(25-4)21(27-6)19(11-16)26-5/h7-11H,12-13H2,1-6H3,(H,22,24)
InChIKeyIYTLIJIBTCJVIT-UHFFFAOYSA-N
XLogP3.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 100767592
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92676343
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132656072
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26626298
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8786276
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483315
2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 60516756
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-(N-ethyl-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 78821752
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
2-(N-ethyl-4-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55446177

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide (CID 60525101) is N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide is COc1cc(CNC(=O)CN(C)c2cccc(C)c2C)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide?
The InChIKey is IYTLIJIBTCJVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14-8-7-9-17(15(14)2)23(3)13-20(24)22-12-16-10-18(25-4)21(27-6)19(11-16)26-5/h7-11H,12-13H2,1-6H3,(H,22,24).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide?
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide is sourced from PubChem (CID 60525101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).