2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide

C22H25N3O4 — CID 3436159

IUPAC2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O4/c1-2-18(22(28)25-12-14-29-15-13-25)23-21(27)17-10-6-7-11-19(17)24-20(26)16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyZSHMKFMHLKALJC-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.31
Rot. Bonds6

About 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide

2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide (PubChem CID 3436159) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
PubChem CID3436159
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O4/c1-2-18(22(28)25-12-14-29-15-13-25)23-21(27)17-10-6-7-11-19(17)24-20(26)16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyZSHMKFMHLKALJC-UHFFFAOYSA-N
XLogP2.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-[(2S,3R)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 7242642
2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1149397
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 3259740
2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
CID 4069315
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
CID 4096684
N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide
CID 97011203
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 17149777

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The IUPAC name of 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide (CID 3436159) is 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide.
What is the SMILES notation for 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The canonical SMILES for 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide is CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The InChIKey is ZSHMKFMHLKALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-18(22(28)25-12-14-29-15-13-25)23-21(27)17-10-6-7-11-19(17)24-20(26)16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide is sourced from PubChem (CID 3436159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).