N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide

C15H29NO2 — CID 123548106

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NC(CO)C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-10(2)12-5-7-13(8-6-12)15(18)16-14(9-17)11(3)4/h10-14,17H,5-9H2,1-4H3,(H,16,18)
InChIKeySFPFPSNWVIZLDL-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.58
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 123548106) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID123548106
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NC(CO)C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-10(2)12-5-7-13(8-6-12)15(18)16-14(9-17)11(3)4/h10-14,17H,5-9H2,1-4H3,(H,16,18)
InChIKeySFPFPSNWVIZLDL-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide (CID 123548106) is N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)NC(CO)C(C)C)CC1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is SFPFPSNWVIZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)12-5-7-13(8-6-12)15(18)16-14(9-17)11(3)4/h10-14,17H,5-9H2,1-4H3,(H,16,18).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 123548106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).