N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide

C14H21NO2 — CID 60666350

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)14(16)15(4)9-12-8-11(3)6-7-13(12)17-5/h6-8,10H,9H2,1-5H3
InChIKeyXQLQLJNMGBIACX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds4

About N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide

N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 60666350) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
PubChem CID60666350
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)14(16)15(4)9-12-8-11(3)6-7-13(12)17-5/h6-8,10H,9H2,1-5H3
InChIKeyXQLQLJNMGBIACX-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287016
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
CID 82011236
N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30171573
(2R)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 39968005
(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 31564062
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide (CID 60666350) is N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide is COc1ccc(C)cc1CN(C)C(=O)C(C)C.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is XQLQLJNMGBIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)14(16)15(4)9-12-8-11(3)6-7-13(12)17-5/h6-8,10H,9H2,1-5H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide?
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 60666350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).