cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide

C16H23ClN2O — CID 123602414

IUPACcis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-3-19(4-2)16(20)12-10-9-11(12)15(18)13-7-5-6-8-14(13)17/h5-8,11-12,15H,3-4,9-10,18H2,1-2H3/t11-,12+,15?/m0/s1
InChIKeyYYGSABUCOPXZOC-VPUIJTBTSA-N
MW294.83 g/mol
LogP3.23
Rot. Bonds5

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

cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide (PubChem CID 123602414) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
PubChem CID123602414
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Namecis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-3-19(4-2)16(20)12-10-9-11(12)15(18)13-7-5-6-8-14(13)17/h5-8,11-12,15H,3-4,9-10,18H2,1-2H3/t11-,12+,15?/m0/s1
InChIKeyYYGSABUCOPXZOC-VPUIJTBTSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide (CID 123602414) is cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide is CCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1ccccc1Cl.
What is the InChIKey of cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
The InChIKey is YYGSABUCOPXZOC-VPUIJTBTSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-19(4-2)16(20)12-10-9-11(12)15(18)13-7-5-6-8-14(13)17/h5-8,11-12,15H,3-4,9-10,18H2,1-2H3/t11-,12+,15?/m0/s1.
What are the key properties of cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide?
cis-(1R,2S)-2-[amino-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.23, 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-(2-chlorophenyl)methyl]-N,N-diethylcyclobutane-1-carboxamide is sourced from PubChem (CID 123602414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).