trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide

C17H26N2O — CID 129419786

IUPACtrans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)16(14-9-7-6-8-10-14)12-18-17(20)15-11-13(15)3/h6-10,13,15-16H,4-5,11-12H2,1-3H3,(H,18,20)/t13-,15-,16-/m1/s1
InChIKeyBIQNAFLHOPXADW-FVQBIDKESA-N
MW274.41 g/mol
LogP2.84
Rot. Bonds7

About trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 129419786) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID129419786
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Nametrans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)16(14-9-7-6-8-10-14)12-18-17(20)15-11-13(15)3/h6-10,13,15-16H,4-5,11-12H2,1-3H3,(H,18,20)/t13-,15-,16-/m1/s1
InChIKeyBIQNAFLHOPXADW-FVQBIDKESA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119399169
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98302763
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(diethylamino)-2-phenylethyl]acetamide
CID 119399224
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692134
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide (CID 129419786) is trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide is CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is BIQNAFLHOPXADW-FVQBIDKESA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19(5-2)16(14-9-7-6-8-10-14)12-18-17(20)15-11-13(15)3/h6-10,13,15-16H,4-5,11-12H2,1-3H3,(H,18,20)/t13-,15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 129419786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).