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

C19H25N3O — CID 10064054

IUPACcis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1Cn1ccnc1C
InChIInChI=1S/C19H25N3O/c1-4-21(5-2)18(23)19(16-9-7-6-8-10-16)13-17(19)14-22-12-11-20-15(22)3/h6-12,17H,4-5,13-14H2,1-3H3/t17-,19+/m0/s1
InChIKeyOXYNHDDBCSNMSE-PKOBYXMFSA-N
MW311.43 g/mol
LogP3.02
Rot. Bonds6

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

cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 10064054) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID10064054
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Namecis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1Cn1ccnc1C
InChIInChI=1S/C19H25N3O/c1-4-21(5-2)18(23)19(16-9-7-6-8-10-16)13-17(19)14-22-12-11-20-15(22)3/h6-12,17H,4-5,13-14H2,1-3H3/t17-,19+/m0/s1
InChIKeyOXYNHDDBCSNMSE-PKOBYXMFSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 10064054) is cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide is CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1Cn1ccnc1C.
What is the InChIKey of cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is OXYNHDDBCSNMSE-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-21(5-2)18(23)19(16-9-7-6-8-10-16)13-17(19)14-22-12-11-20-15(22)3/h6-12,17H,4-5,13-14H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 10064054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).