cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide

C15H22N2O — CID 71293368

IUPACcis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H]1C(N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)15(18)13-10-12(13)14(16)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10,16H2,1-2H3/t12-,13+,14?/m0/s1
InChIKeyJAUQIELZGAAFQL-WLDKUNSKSA-N
MW246.35 g/mol
LogP2.19
Rot. Bonds5

About cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide

cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide (PubChem CID 71293368) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide
PubChem CID71293368
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Namecis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H]1C(N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)15(18)13-10-12(13)14(16)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10,16H2,1-2H3/t12-,13+,14?/m0/s1
InChIKeyJAUQIELZGAAFQL-WLDKUNSKSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
CID 123602414
2-[diethylamino(phenyl)methyl]cyclopropane-1-carboxamide
CID 140575168
cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 102247196
(2S,3S)-2,3-dihydroxybutanedioic acid;trans-methyl (1S,2S)-2-[(S)-amino(phenyl)methyl]cyclopropane-1-carboxylate
CID 11717354
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
CID 18723473
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
1-[amino(phenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
CID 66709843
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide (CID 71293368) is cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H]1C(N)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide?
The InChIKey is JAUQIELZGAAFQL-WLDKUNSKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(4-2)15(18)13-10-12(13)14(16)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10,16H2,1-2H3/t12-,13+,14?/m0/s1.
What are the key properties of cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide is sourced from PubChem (CID 71293368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).