2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide

C21H26N4O4 — CID 166202726

IUPAC2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C21H26N4O4/c1-24(14-16-5-2-3-8-19(16)25-9-11-28-12-10-25)21(27)23-17-6-4-7-18(13-17)29-15-20(22)26/h2-8,13H,9-12,14-15H2,1H3,(H2,22,26)(H,23,27)
InChIKeyOTQSUVGYYYDDLE-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.05
Rot. Bonds7

About 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide

2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide (PubChem CID 166202726) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide
PubChem CID166202726
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C21H26N4O4/c1-24(14-16-5-2-3-8-19(16)25-9-11-28-12-10-25)21(27)23-17-6-4-7-18(13-17)29-15-20(22)26/h2-8,13H,9-12,14-15H2,1H3,(H2,22,26)(H,23,27)
InChIKeyOTQSUVGYYYDDLE-UHFFFAOYSA-N
XLogP2.05
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 52667538
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17398989
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 17465759
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18155389

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide?
The IUPAC name of 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide (CID 166202726) is 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide is CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1cccc(OCC(N)=O)c1.
What is the InChIKey of 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide?
The InChIKey is OTQSUVGYYYDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-24(14-16-5-2-3-8-19(16)25-9-11-28-12-10-25)21(27)23-17-6-4-7-18(13-17)29-15-20(22)26/h2-8,13H,9-12,14-15H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide?
2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide has a molecular weight of 398.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide is sourced from PubChem (CID 166202726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).