N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide

C20H25NO4 — CID 43904782

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-14-7-6-8-17(11-14)25-15(2)20(22)21(3)13-16-9-10-18(23-4)19(12-16)24-5/h6-12,15H,13H2,1-5H3
InChIKeyADAIMBMRDRUVHV-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.44
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide (PubChem CID 43904782) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
PubChem CID43904782
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-14-7-6-8-17(11-14)25-15(2)20(22)21(3)13-16-9-10-18(23-4)19(12-16)24-5/h6-12,15H,13H2,1-5H3
InChIKeyADAIMBMRDRUVHV-UHFFFAOYSA-N
XLogP3.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 99954741
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791754
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
(2S)-2-(4-bromophenoxy)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpropanamide
CID 52513292
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846489
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide (CID 43904782) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide is COc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The InChIKey is ADAIMBMRDRUVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14-7-6-8-17(11-14)25-15(2)20(22)21(3)13-16-9-10-18(23-4)19(12-16)24-5/h6-12,15H,13H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 43904782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).