2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide

C22H29NO2 — CID 123468185

IUPAC2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide
SMILESCOc1cc(C(C)C(=O)N(C)C(C)Cc2ccccc2)cc(C)c1C
InChIInChI=1S/C22H29NO2/c1-15-12-20(14-21(25-6)17(15)3)18(4)22(24)23(5)16(2)13-19-10-8-7-9-11-19/h7-12,14,16,18H,13H2,1-6H3
InChIKeySXAKHGGEURDSCE-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.51
Rot. Bonds6

About 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide

2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide (PubChem CID 123468185) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide
PubChem CID123468185
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide
SMILESCOc1cc(C(C)C(=O)N(C)C(C)Cc2ccccc2)cc(C)c1C
InChIInChI=1S/C22H29NO2/c1-15-12-20(14-21(25-6)17(15)3)18(4)22(24)23(5)16(2)13-19-10-8-7-9-11-19/h7-12,14,16,18H,13H2,1-6H3
InChIKeySXAKHGGEURDSCE-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(3-methoxy-4,5-dimethylphenyl)-N-methylbutanamide
CID 90225512
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
3-amino-2-(3-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117319642
[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
CID 58329180
N-methyl-N-[(2S)-1-(3-phenylphenyl)propan-2-yl]acetamide
CID 121274891
1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea
CID 154418525
1-[methyl(1-phenylpropan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)ethanol
CID 123599375
methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate
CID 146248045
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide?
The IUPAC name of 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide (CID 123468185) is 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide?
The canonical SMILES for 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide is COc1cc(C(C)C(=O)N(C)C(C)Cc2ccccc2)cc(C)c1C.
What is the InChIKey of 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide?
The InChIKey is SXAKHGGEURDSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-15-12-20(14-21(25-6)17(15)3)18(4)22(24)23(5)16(2)13-19-10-8-7-9-11-19/h7-12,14,16,18H,13H2,1-6H3.
What are the key properties of 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide?
2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide has a molecular weight of 339.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 123468185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).