N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide

C23H29N3O3 — CID 3259740

IUPACN-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-17(2)24-23(28)20-6-4-5-7-21(20)25-22(27)19-10-8-18(9-11-19)16-26-12-14-29-15-13-26/h4-11,17H,3,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyLLAAWODXAQKQKH-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.30
Rot. Bonds7

About N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide

N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide (PubChem CID 3259740) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
PubChem CID3259740
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-17(2)24-23(28)20-6-4-5-7-21(20)25-22(27)19-10-8-18(9-11-19)16-26-12-14-29-15-13-26/h4-11,17H,3,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyLLAAWODXAQKQKH-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 3436159
2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986326
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
2-benzamido-N-[(2S,3R)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 7242642

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide (CID 3259740) is N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is LLAAWODXAQKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-17(2)24-23(28)20-6-4-5-7-21(20)25-22(27)19-10-8-18(9-11-19)16-26-12-14-29-15-13-26/h4-11,17H,3,12-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide?
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 3259740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).