2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

C21H26N2O3 — CID 9148983

IUPAC2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1cccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-17-6-5-9-19(14-17)26-16-21(24)22-20(18-7-3-2-4-8-18)15-23-10-12-25-13-11-23/h2-9,14,20H,10-13,15-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyWIMZYTWSYVKZDE-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.56
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (PubChem CID 9148983) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
PubChem CID9148983
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1cccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-17-6-5-9-19(14-17)26-16-21(24)22-20(18-7-3-2-4-8-18)15-23-10-12-25-13-11-23/h2-9,14,20H,10-13,15-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyWIMZYTWSYVKZDE-HXUWFJFHSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148831
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (CID 9148983) is 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is Cc1cccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The InChIKey is WIMZYTWSYVKZDE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17-6-5-9-19(14-17)26-16-21(24)22-20(18-7-3-2-4-8-18)15-23-10-12-25-13-11-23/h2-9,14,20H,10-13,15-16H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9148983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).