cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide

C16H23NO — CID 58535208

IUPACcis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H23NO/c1-4-13-12-16(13,14-10-8-7-9-11-14)15(18)17(5-2)6-3/h7-11,13H,4-6,12H2,1-3H3/t13-,16+/m1/s1
InChIKeyHZTQGVBEDAMCEB-CJNGLKHVSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds5

About cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 58535208) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID58535208
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Namecis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H23NO/c1-4-13-12-16(13,14-10-8-7-9-11-14)15(18)17(5-2)6-3/h7-11,13H,4-6,12H2,1-3H3/t13-,16+/m1/s1
InChIKeyHZTQGVBEDAMCEB-CJNGLKHVSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide (CID 58535208) is cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide is CC[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is HZTQGVBEDAMCEB-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-13-12-16(13,14-10-8-7-9-11-14)15(18)17(5-2)6-3/h7-11,13H,4-6,12H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 58535208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).