2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide

C17H32N2O3 — CID 75407588

IUPAC2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)NCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-12(20)19-16(5,6)14(21)18-11-17(22)9-7-13(8-10-17)15(2,3)4/h13,22H,7-11H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyUQAWWMUSQUSMCF-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.98
Rot. Bonds4

About 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide

2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide (PubChem CID 75407588) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
PubChem CID75407588
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)NCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-12(20)19-16(5,6)14(21)18-11-17(22)9-7-13(8-10-17)15(2,3)4/h13,22H,7-11H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyUQAWWMUSQUSMCF-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide (CID 75407588) is 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide is CC(=O)NC(C)(C)C(=O)NCC1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The InChIKey is UQAWWMUSQUSMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-12(20)19-16(5,6)14(21)18-11-17(22)9-7-13(8-10-17)15(2,3)4/h13,22H,7-11H2,1-6H3,(H,18,21)(H,19,20).
What are the key properties of 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide has a molecular weight of 312.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 75407588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).