N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C20H25NO4 — CID 2683319

IUPACN-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-13-8-14(2)10-16(9-13)21-19(22)7-6-15-11-17(23-3)20(25-5)18(12-15)24-4/h8-12H,6-7H2,1-5H3,(H,21,22)
InChIKeyKQUOINNJQNXTSS-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.90
Rot. Bonds7

About N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2683319) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2683319
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-13-8-14(2)10-16(9-13)21-19(22)7-6-15-11-17(23-3)20(25-5)18(12-15)24-4/h8-12H,6-7H2,1-5H3,(H,21,22)
InChIKeyKQUOINNJQNXTSS-UHFFFAOYSA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2404472
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4564616
Bas 09588626
CID 644738
6,7-dimethyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2(1H)-quinolinone
CID 2898111
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CID 68521908
N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide
CID 70689382

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2683319) is N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is KQUOINNJQNXTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-8-14(2)10-16(9-13)21-19(22)7-6-15-11-17(23-3)20(25-5)18(12-15)24-4/h8-12H,6-7H2,1-5H3,(H,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2683319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).