cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide

C14H20N2O — CID 40540857

IUPACcis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCN(C)CCNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(2)9-8-15-14(17)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyFLMRCMWDPRPBGI-STQMWFEESA-N
MW232.33 g/mol
LogP1.47
Rot. Bonds5

About cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 40540857) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID40540857
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Namecis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCN(C)CCNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(2)9-8-15-14(17)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyFLMRCMWDPRPBGI-STQMWFEESA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 40540857) is cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide is CN(C)CCNC(=O)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is FLMRCMWDPRPBGI-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)9-8-15-14(17)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 40540857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).