cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide

C17H25NO2 — CID 10564350

IUPACcis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC[C@H](O)[C@H]1C[C@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-15(19)14-12-17(14,13-10-8-7-9-11-13)16(20)18(5-2)6-3/h7-11,14-15,19H,4-6,12H2,1-3H3/t14-,15+,17+/m1/s1
InChIKeyFGVGMSHUHNZLHB-VYDXJSESSA-N
MW275.39 g/mol
LogP2.58
Rot. Bonds6

About cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 10564350) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID10564350
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namecis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC[C@H](O)[C@H]1C[C@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-15(19)14-12-17(14,13-10-8-7-9-11-13)16(20)18(5-2)6-3/h7-11,14-15,19H,4-6,12H2,1-3H3/t14-,15+,17+/m1/s1
InChIKeyFGVGMSHUHNZLHB-VYDXJSESSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide (CID 10564350) is cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide is CC[C@H](O)[C@H]1C[C@]1(C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is FGVGMSHUHNZLHB-VYDXJSESSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-15(19)14-12-17(14,13-10-8-7-9-11-13)16(20)18(5-2)6-3/h7-11,14-15,19H,4-6,12H2,1-3H3/t14-,15+,17+/m1/s1.
What are the key properties of cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 10564350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).