N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide

C17H26N2O2 — CID 97332615

IUPACN,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(N[C@@H]2CCO[C@H]2C)cc1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)12-14-6-8-15(9-7-14)18-16-10-11-21-13(16)3/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t13-,16+/m0/s1
InChIKeyXMTNYPGHXMYZLU-XJKSGUPXSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds6

About N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide

N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide (PubChem CID 97332615) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide
PubChem CID97332615
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(N[C@@H]2CCO[C@H]2C)cc1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)12-14-6-8-15(9-7-14)18-16-10-11-21-13(16)3/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t13-,16+/m0/s1
InChIKeyXMTNYPGHXMYZLU-XJKSGUPXSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide (CID 97332615) is N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide is CCN(CC)C(=O)Cc1ccc(N[C@@H]2CCO[C@H]2C)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide?
The InChIKey is XMTNYPGHXMYZLU-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)12-14-6-8-15(9-7-14)18-16-10-11-21-13(16)3/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide?
N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 97332615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).