4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide

C20H23N3O4 — CID 25007040

IUPAC4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CC(N)C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23N3O4/c21-18(20(25)23-9-11-26-12-10-23)13-14-1-5-16(6-2-14)27-17-7-3-15(4-8-17)19(22)24/h1-8,18H,9-13,21H2,(H2,22,24)
InChIKeyXCBZIRRHKSZTAY-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.31
Rot. Bonds6

About 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide

4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide (PubChem CID 25007040) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide
PubChem CID25007040
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CC(N)C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23N3O4/c21-18(20(25)23-9-11-26-12-10-23)13-14-1-5-16(6-2-14)27-17-7-3-15(4-8-17)19(22)24/h1-8,18H,9-13,21H2,(H2,22,24)
InChIKeyXCBZIRRHKSZTAY-UHFFFAOYSA-N
XLogP1.31
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
8-[4-[(2S)-2-amino-3-morpholin-4-yl-3-oxopropyl]phenoxy]-2-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
CID 70034043
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
3-[4-[4-[2-amino-3-(4-methylpiperazin-1-yl)-3-oxopropyl]phenoxy]phenyl]propanamide
CID 24991348
(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 146352445
(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 141006168
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
3-[4-[4-(2-amino-3-oxo-3-piperazin-1-ylpropyl)phenoxy]phenyl]propanoic acid
CID 24991344
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
[(2S)-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-1-morpholin-4-yl-1-oxopropan-2-yl]azanium
CID 143421129

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide?
The IUPAC name of 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide (CID 25007040) is 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide?
The canonical SMILES for 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(CC(N)C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide?
The InChIKey is XCBZIRRHKSZTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c21-18(20(25)23-9-11-26-12-10-23)13-14-1-5-16(6-2-14)27-17-7-3-15(4-8-17)19(22)24/h1-8,18H,9-13,21H2,(H2,22,24).
What are the key properties of 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide?
4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide has a molecular weight of 369.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide is sourced from PubChem (CID 25007040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).