2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide

C20H25N3O2 — CID 66703979

IUPAC2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide
SMILESC[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(NCC(N)=O)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-15(16-5-3-2-4-6-16)23-11-12-25-19(14-23)17-7-9-18(10-8-17)22-13-20(21)24/h2-10,15,19,22H,11-14H2,1H3,(H2,21,24)/t15-,19-/m1/s1
InChIKeyFYXGZCODNLTTIQ-DNVCBOLYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds6

About 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide

2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide (PubChem CID 66703979) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide
PubChem CID66703979
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide
SMILESC[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(NCC(N)=O)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-15(16-5-3-2-4-6-16)23-11-12-25-19(14-23)17-7-9-18(10-8-17)22-13-20(21)24/h2-10,15,19,22H,11-14H2,1H3,(H2,21,24)/t15-,19-/m1/s1
InChIKeyFYXGZCODNLTTIQ-DNVCBOLYSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide?
The IUPAC name of 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide (CID 66703979) is 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide.
What is the SMILES notation for 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide?
The canonical SMILES for 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide is C[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(NCC(N)=O)cc2)C1.
What is the InChIKey of 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide?
The InChIKey is FYXGZCODNLTTIQ-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(16-5-3-2-4-6-16)23-11-12-25-19(14-23)17-7-9-18(10-8-17)22-13-20(21)24/h2-10,15,19,22H,11-14H2,1H3,(H2,21,24)/t15-,19-/m1/s1.
What are the key properties of 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide?
2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide is sourced from PubChem (CID 66703979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).