N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide

C15H23NO3 — CID 46485721

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-9(2)15(17)16-11(4)12-8-14(19-6)13(18-5)7-10(12)3/h7-9,11H,1-6H3,(H,16,17)
InChIKeyLBIXVAHKAPAYDJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide (PubChem CID 46485721) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
PubChem CID46485721
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-9(2)15(17)16-11(4)12-8-14(19-6)13(18-5)7-10(12)3/h7-9,11H,1-6H3,(H,16,17)
InChIKeyLBIXVAHKAPAYDJ-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125118630
N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78878408
7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133186528
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
CID 99619635
2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 78878483
1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 53499388

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide (CID 46485721) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide is COc1cc(C)c(C(C)NC(=O)C(C)C)cc1OC.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide?
The InChIKey is LBIXVAHKAPAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)15(17)16-11(4)12-8-14(19-6)13(18-5)7-10(12)3/h7-9,11H,1-6H3,(H,16,17).
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide has a molecular weight of 265.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 46485721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).