N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide

C13H17NO2 — CID 132515764

IUPACN-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1(O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-12(2)9-13(12,16)11(15)14-8-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,14,15)
InChIKeyKSZCSTBTRVSZKU-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.46
Rot. Bonds3

About N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide

N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 132515764) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID132515764
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1(O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-12(2)9-13(12,16)11(15)14-8-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,14,15)
InChIKeyKSZCSTBTRVSZKU-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide (CID 132515764) is N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1(O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is KSZCSTBTRVSZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-12(2)9-13(12,16)11(15)14-8-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide?
N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 132515764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).