N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide

C16H25NO2 — CID 115139147

IUPACN-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(C(C)(C)C)cc1CN(C)C(=O)CCO
InChIInChI=1S/C16H25NO2/c1-12-6-7-14(16(2,3)4)10-13(12)11-17(5)15(19)8-9-18/h6-7,10,18H,8-9,11H2,1-5H3
InChIKeyDLEYACFMXZRFJY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds4

About N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide

N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide (PubChem CID 115139147) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
PubChem CID115139147
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(C(C)(C)C)cc1CN(C)C(=O)CCO
InChIInChI=1S/C16H25NO2/c1-12-6-7-14(16(2,3)4)10-13(12)11-17(5)15(19)8-9-18/h6-7,10,18H,8-9,11H2,1-5H3
InChIKeyDLEYACFMXZRFJY-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-2-methylphenyl)methyl-methylcarbamothioic S-acid
CID 115170095
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151986
4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
CID 115163051
N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
CID 115259408
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
CID 115192000
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
1-(5-tert-butyl-2-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263157
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
N-[(4-tert-butyl-2-methylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172381
methyl 2-(5-tert-butyl-2-methylphenyl)acetate
CID 82127657

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide (CID 115139147) is N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide is Cc1ccc(C(C)(C)C)cc1CN(C)C(=O)CCO.
What is the InChIKey of N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is DLEYACFMXZRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-7-14(16(2,3)4)10-13(12)11-17(5)15(19)8-9-18/h6-7,10,18H,8-9,11H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).