trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide

C17H25NO — CID 102327290

IUPACtrans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C(C)C
InChIInChI=1S/C17H25NO/c1-12(2)18(13(3)4)16(19)17(5)11-15(17)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t15-,17+/m1/s1
InChIKeyRCFSGSCWRGTJPR-WBVHZDCISA-N
MW259.39 g/mol
LogP3.83
Rot. Bonds4

About trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide

trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide (PubChem CID 102327290) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
PubChem CID102327290
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Nametrans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C(C)C
InChIInChI=1S/C17H25NO/c1-12(2)18(13(3)4)16(19)17(5)11-15(17)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t15-,17+/m1/s1
InChIKeyRCFSGSCWRGTJPR-WBVHZDCISA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide (CID 102327290) is trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide is CC(C)N(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C(C)C.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is RCFSGSCWRGTJPR-WBVHZDCISA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)18(13(3)4)16(19)17(5)11-15(17)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t15-,17+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 259.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 102327290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).