N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide

C14H21NO2 — CID 110781243

IUPACN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
SMILESCOc1cc(C)c(CNC(C)=O)cc1C(C)C
InChIInChI=1S/C14H21NO2/c1-9(2)13-7-12(8-15-11(4)16)10(3)6-14(13)17-5/h6-7,9H,8H2,1-5H3,(H,15,16)
InChIKeyZUVLDHVQTRASSQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds4

About N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide (PubChem CID 110781243) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
PubChem CID110781243
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
SMILESCOc1cc(C)c(CNC(C)=O)cc1C(C)C
InChIInChI=1S/C14H21NO2/c1-9(2)13-7-12(8-15-11(4)16)10(3)6-14(13)17-5/h6-7,9H,8H2,1-5H3,(H,15,16)
InChIKeyZUVLDHVQTRASSQ-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110781248
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 46963426
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide (CID 110781243) is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide is COc1cc(C)c(CNC(C)=O)cc1C(C)C.
What is the InChIKey of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is ZUVLDHVQTRASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)13-7-12(8-15-11(4)16)10(3)6-14(13)17-5/h6-7,9H,8H2,1-5H3,(H,15,16).
What are the key properties of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide?
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 110781243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).