4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide

C21H26N2O2 — CID 54780731

IUPAC4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)17-10-8-16(9-11-17)20(25)23-18-12-5-15(6-13-18)7-14-19(24)22-4/h5-6,8-13H,7,14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWENMDPZKPRQYIV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.91
Rot. Bonds5

About 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide

4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide (PubChem CID 54780731) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
PubChem CID54780731
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)17-10-8-16(9-11-17)20(25)23-18-12-5-15(6-13-18)7-14-19(24)22-4/h5-6,8-13H,7,14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWENMDPZKPRQYIV-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
CID 54780630
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
3-[4-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]phenyl]propanoic acid
CID 120528328
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-oxopentanoic acid
CID 17235034
2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780837

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide (CID 54780731) is 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide is CNC(=O)CCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The InChIKey is WENMDPZKPRQYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,3)17-10-8-16(9-11-17)20(25)23-18-12-5-15(6-13-18)7-14-19(24)22-4/h5-6,8-13H,7,14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide is sourced from PubChem (CID 54780731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).