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

C17H26N2O — CID 10039034

IUPACcis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN(C)C
InChIInChI=1S/C17H26N2O/c1-5-19(6-2)16(20)17(12-15(17)13-18(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-,17+/m0/s1
InChIKeyNMRSWXVEITZBIQ-DOTOQJQBSA-N
MW274.41 g/mol
LogP2.37
Rot. Bonds6

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

cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 10039034) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID10039034
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Namecis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN(C)C
InChIInChI=1S/C17H26N2O/c1-5-19(6-2)16(20)17(12-15(17)13-18(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-,17+/m0/s1
InChIKeyNMRSWXVEITZBIQ-DOTOQJQBSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (CID 10039034) is cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN(C)C.
What is the InChIKey of cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is NMRSWXVEITZBIQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-19(6-2)16(20)17(12-15(17)13-18(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(dimethylamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 10039034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).