N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide

C22H27N3O3 — CID 21173543

IUPACN-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)24-21(27)18-6-4-5-7-19(18)23-20(26)16-8-10-17(11-9-16)25-12-14-28-15-13-25/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyBPPYGFNMKRRPQP-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.30
Rot. Bonds4

About N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide

N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide (PubChem CID 21173543) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
PubChem CID21173543
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)24-21(27)18-6-4-5-7-19(18)23-20(26)16-8-10-17(11-9-16)25-12-14-28-15-13-25/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyBPPYGFNMKRRPQP-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 100679235
N,N-diethyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21367636
N-(2-acetyl-4-morpholin-4-ylphenyl)-4-phenylbenzamide
CID 71711464
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719
2-[(4-piperidin-1-ylbenzoyl)amino]-N-propylbenzamide
CID 21367704
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 72717788

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide?
The IUPAC name of N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide (CID 21173543) is N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide?
The InChIKey is BPPYGFNMKRRPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)24-21(27)18-6-4-5-7-19(18)23-20(26)16-8-10-17(11-9-16)25-12-14-28-15-13-25/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide?
N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide is sourced from PubChem (CID 21173543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).