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

C19H23NO3 — CID 21368307

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO3/c1-14-6-5-7-18(12-14)23-15(2)19(21)20(3)13-16-8-10-17(22-4)11-9-16/h5-12,15H,13H2,1-4H3
InChIKeyKJQJBZIBPVWSPB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide (PubChem CID 21368307) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
PubChem CID21368307
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO3/c1-14-6-5-7-18(12-14)23-15(2)19(21)20(3)13-16-8-10-17(22-4)11-9-16/h5-12,15H,13H2,1-4H3
InChIKeyKJQJBZIBPVWSPB-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791754
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 98831423
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 43904465
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846489
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
(2R)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100581501
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
(2R)-2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 7425589

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide (CID 21368307) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide is COc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The InChIKey is KJQJBZIBPVWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-6-5-7-18(12-14)23-15(2)19(21)20(3)13-16-8-10-17(22-4)11-9-16/h5-12,15H,13H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 21368307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).