N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C14H27NO2 — CID 3016103

IUPACN-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCCO)C1
InChIInChI=1S/C14H27NO2/c1-10(2)12-6-5-11(3)9-13(12)14(17)15-7-4-8-16/h10-13,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyVBXWUOYNNYFRAX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.19
Rot. Bonds5

About N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 3016103) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID3016103
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCCO)C1
InChIInChI=1S/C14H27NO2/c1-10(2)12-6-5-11(3)9-13(12)14(17)15-7-4-8-16/h10-13,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyVBXWUOYNNYFRAX-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 3016103) is N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NCCCO)C1.
What is the InChIKey of N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is VBXWUOYNNYFRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)12-6-5-11(3)9-13(12)14(17)15-7-4-8-16/h10-13,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 3016103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).