N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide

C22H26N2O3 — CID 109052908

IUPACN-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)18-9-4-5-10-19(18)23-20(25)16-7-6-8-17(15-16)21(26)24-11-13-27-14-12-24/h4-10,15H,11-14H2,1-3H3,(H,23,25)
InChIKeyUBUTXNMIBKYIMY-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.71
Rot. Bonds3

About N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide

N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide (PubChem CID 109052908) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide
PubChem CID109052908
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)18-9-4-5-10-19(18)23-20(25)16-7-6-8-17(15-16)21(26)24-11-13-27-14-12-24/h4-10,15H,11-14H2,1-3H3,(H,23,25)
InChIKeyUBUTXNMIBKYIMY-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
N-(2-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103826

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide (CID 109052908) is N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide is CC(C)(C)c1ccccc1NC(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide?
The InChIKey is UBUTXNMIBKYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)18-9-4-5-10-19(18)23-20(25)16-7-6-8-17(15-16)21(26)24-11-13-27-14-12-24/h4-10,15H,11-14H2,1-3H3,(H,23,25).
What are the key properties of N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide?
N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 109052908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).