N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide

C21H26N2O3 — CID 56897356

IUPACN-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
SMILESCCNC(=O)CC1COCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-2-22-21(24)14-18-16-25-12-11-23(18)15-17-7-6-10-20(13-17)26-19-8-4-3-5-9-19/h3-10,13,18H,2,11-12,14-16H2,1H3,(H,22,24)
InChIKeyIRAGXZAWOONDTB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds7

About N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide

N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide (PubChem CID 56897356) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
PubChem CID56897356
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
SMILESCCNC(=O)CC1COCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-2-22-21(24)14-18-16-25-12-11-23(18)15-17-7-6-10-20(13-17)26-19-8-4-3-5-9-19/h3-10,13,18H,2,11-12,14-16H2,1H3,(H,22,24)
InChIKeyIRAGXZAWOONDTB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetic acid
CID 56913375
4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid
CID 107105272
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081
(2S,4S)-1-benzyl-N-ethyl-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45249488
(4R)-4-morpholin-4-yl-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 125164955
3-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 43611627

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide (CID 56897356) is N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide is CCNC(=O)CC1COCCN1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide?
The InChIKey is IRAGXZAWOONDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-22-21(24)14-18-16-25-12-11-23(18)15-17-7-6-10-20(13-17)26-19-8-4-3-5-9-19/h3-10,13,18H,2,11-12,14-16H2,1H3,(H,22,24).
What are the key properties of N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide?
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 56897356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).