N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide

C15H29NO2 — CID 71201782

IUPACN-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCCC(O)CCC(C)NC(=O)C1CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-4-14(17)10-7-12(3)16-15(18)13-8-5-11(2)6-9-13/h11-14,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyRLPLURFNEBZRBU-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.87
Rot. Bonds6

About N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide

N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 71201782) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID71201782
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCCC(O)CCC(C)NC(=O)C1CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-4-14(17)10-7-12(3)16-15(18)13-8-5-11(2)6-9-13/h11-14,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyRLPLURFNEBZRBU-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide (CID 71201782) is N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide is CCC(O)CCC(C)NC(=O)C1CCC(C)CC1.
What is the InChIKey of N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is RLPLURFNEBZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-14(17)10-7-12(3)16-15(18)13-8-5-11(2)6-9-13/h11-14,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide?
N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 71201782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).