N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide

C19H22N2O3 — CID 97318590

IUPACN-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCc1cccc(Oc2ccccc2NC(=O)C[C@H]2CNCCO2)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-6-15(11-14)24-18-8-3-2-7-17(18)21-19(22)12-16-13-20-9-10-23-16/h2-8,11,16,20H,9-10,12-13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyMOLBPUSPNLMJEW-INIZCTEOSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide

N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide (PubChem CID 97318590) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide
PubChem CID97318590
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCc1cccc(Oc2ccccc2NC(=O)C[C@H]2CNCCO2)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-6-15(11-14)24-18-8-3-2-7-17(18)21-19(22)12-16-13-20-9-10-23-16/h2-8,11,16,20H,9-10,12-13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyMOLBPUSPNLMJEW-INIZCTEOSA-N
XLogP3.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide?
The IUPAC name of N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide (CID 97318590) is N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide?
The canonical SMILES for N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide is Cc1cccc(Oc2ccccc2NC(=O)C[C@H]2CNCCO2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide?
The InChIKey is MOLBPUSPNLMJEW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-4-6-15(11-14)24-18-8-3-2-7-17(18)21-19(22)12-16-13-20-9-10-23-16/h2-8,11,16,20H,9-10,12-13H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide?
N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide is sourced from PubChem (CID 97318590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).