trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide

C17H19NO — CID 102346585

IUPACtrans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@]1(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-17(11-15(17)16(19)18(2)3)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11H2,1-3H3/t15-,17-/m1/s1
InChIKeyMSQYTZBGRXKEKD-NVXWUHKLSA-N
MW253.34 g/mol
LogP3.21
Rot. Bonds2

About trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide

trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide (PubChem CID 102346585) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
PubChem CID102346585
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Nametrans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@]1(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-17(11-15(17)16(19)18(2)3)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11H2,1-3H3/t15-,17-/m1/s1
InChIKeyMSQYTZBGRXKEKD-NVXWUHKLSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide (CID 102346585) is trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide is CN(C)C(=O)[C@H]1C[C@]1(C)c1ccc2ccccc2c1.
What is the InChIKey of trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The InChIKey is MSQYTZBGRXKEKD-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(11-15(17)16(19)18(2)3)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide?
trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 102346585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).