cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide

C19H29NO — CID 98220206

IUPACcis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide
SMILESCCCCCCCC[C@@H]1C[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-10-13-17-14-18(17)19(21)20-15-16-11-8-7-9-12-16/h7-9,11-12,17-18H,2-6,10,13-15H2,1H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyIACGVITVTNVFPO-QZTJIDSGSA-N
MW287.45 g/mol
LogP4.69
Rot. Bonds10

About cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide

cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide (PubChem CID 98220206) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide
PubChem CID98220206
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Namecis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide
SMILESCCCCCCCC[C@@H]1C[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-10-13-17-14-18(17)19(21)20-15-16-11-8-7-9-12-16/h7-9,11-12,17-18H,2-6,10,13-15H2,1H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyIACGVITVTNVFPO-QZTJIDSGSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide (CID 98220206) is cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide is CCCCCCCC[C@@H]1C[C@H]1C(=O)NCc1ccccc1.
What is the InChIKey of cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide?
The InChIKey is IACGVITVTNVFPO-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-6-10-13-17-14-18(17)19(21)20-15-16-11-8-7-9-12-16/h7-9,11-12,17-18H,2-6,10,13-15H2,1H3,(H,20,21)/t17-,18-/m1/s1.
What are the key properties of cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide?
cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide has a molecular weight of 287.45 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide is sourced from PubChem (CID 98220206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).