N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide

C18H27NO2 — CID 44586594

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H27NO2/c1-12(14(20)13-10-8-7-9-11-13)19(6)16(21)15-17(2,3)18(15,4)5/h7-12,14-15,20H,1-6H3
InChIKeyGKGDGKWBRPGVHU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.25
Rot. Bonds4

About N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide (PubChem CID 44586594) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
PubChem CID44586594
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H27NO2/c1-12(14(20)13-10-8-7-9-11-13)19(6)16(21)15-17(2,3)18(15,4)5/h7-12,14-15,20H,1-6H3
InChIKeyGKGDGKWBRPGVHU-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide (CID 44586594) is N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide is CC(C(O)c1ccccc1)N(C)C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The InChIKey is GKGDGKWBRPGVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12(14(20)13-10-8-7-9-11-13)19(6)16(21)15-17(2,3)18(15,4)5/h7-12,14-15,20H,1-6H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide is sourced from PubChem (CID 44586594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).