4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide

C21H26N2O2 — CID 17438048

IUPAC4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)15-17-7-9-18(10-8-17)21(24)22-19-5-3-4-6-20(19)23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyXIXKOVFRHWHXRC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.97
Rot. Bonds5

About 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide

4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 17438048) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID17438048
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)15-17-7-9-18(10-8-17)21(24)22-19-5-3-4-6-20(19)23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyXIXKOVFRHWHXRC-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
5-acetamido-N-(2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 110699962
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide (CID 17438048) is 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide is CC(C)Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is XIXKOVFRHWHXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)15-17-7-9-18(10-8-17)21(24)22-19-5-3-4-6-20(19)23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24).
What are the key properties of 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide?
4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 17438048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).