N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide

C16H25NO2 — CID 115139038

IUPACN-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CNC(=O)CCO
InChIInChI=1S/C16H25NO2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-17-15(19)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeySKMNDRATBBFNQZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.60
Rot. Bonds4

About N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide

N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide (PubChem CID 115139038) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
PubChem CID115139038
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CNC(=O)CCO
InChIInChI=1S/C16H25NO2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-17-15(19)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeySKMNDRATBBFNQZ-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
CID 115191842
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
CID 115163000
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
CID 116843609
3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide
CID 115139292
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide (CID 115139038) is N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide is Cc1cc(C(C)(C)C)cc(C)c1CNC(=O)CCO.
What is the InChIKey of N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide?
The InChIKey is SKMNDRATBBFNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-17-15(19)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide?
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide has a molecular weight of 263.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 115139038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).