N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide

C13H25NO3 — CID 20697993

IUPACN-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(C(=O)NCC(O)CO)C1
InChIInChI=1S/C13H25NO3/c1-9(2)10-4-3-5-11(6-10)13(17)14-7-12(16)8-15/h9-12,15-16H,3-8H2,1-2H3,(H,14,17)
InChIKeyCISFJWUNPYQOKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.92
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide

N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 20697993) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide
PubChem CID20697993
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCCC(C(=O)NCC(O)CO)C1
InChIInChI=1S/C13H25NO3/c1-9(2)10-4-3-5-11(6-10)13(17)14-7-12(16)8-15/h9-12,15-16H,3-8H2,1-2H3,(H,14,17)
InChIKeyCISFJWUNPYQOKR-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide (CID 20697993) is N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCCC(C(=O)NCC(O)CO)C1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is CISFJWUNPYQOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)10-4-3-5-11(6-10)13(17)14-7-12(16)8-15/h9-12,15-16H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 20697993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).