(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide

C15H20N2O2 — CID 94352405

IUPAC(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide
SMILESCCN(C[C@H](C)C#N)C(=O)[C@H](OC)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-17(11-12(2)10-16)15(18)14(19-3)13-8-6-5-7-9-13/h5-9,12,14H,4,11H2,1-3H3/t12-,14-/m1/s1
InChIKeyZJTAMOHDDSEMSG-TZMCWYRMSA-N
MW260.34 g/mol
LogP2.38
Rot. Bonds6

About (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide

(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide (PubChem CID 94352405) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide
PubChem CID94352405
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide
SMILESCCN(C[C@H](C)C#N)C(=O)[C@H](OC)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-17(11-12(2)10-16)15(18)14(19-3)13-8-6-5-7-9-13/h5-9,12,14H,4,11H2,1-3H3/t12-,14-/m1/s1
InChIKeyZJTAMOHDDSEMSG-TZMCWYRMSA-N
XLogP2.38
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methoxy-2-phenylacetamide
CID 79380883
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
CID 62653112
N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
CID 60606606
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide
CID 76935003
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
CID 54979575
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide (CID 94352405) is (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide is CCN(C[C@H](C)C#N)C(=O)[C@H](OC)c1ccccc1.
What is the InChIKey of (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide?
The InChIKey is ZJTAMOHDDSEMSG-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17(11-12(2)10-16)15(18)14(19-3)13-8-6-5-7-9-13/h5-9,12,14H,4,11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide?
(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide has a molecular weight of 260.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 94352405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).