4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide

C21H26N2O2 — CID 56517357

IUPAC4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
SMILESCc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)ccc1C(N)=O
InChIInChI=1S/C21H26N2O2/c1-14-13-17(10-11-18(14)20(22)25)23-19(24)12-7-15-5-8-16(9-6-15)21(2,3)4/h5-6,8-11,13H,7,12H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyYLENXHWTCNKQGL-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.96
Rot. Bonds5

About 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide

4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide (PubChem CID 56517357) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
PubChem CID56517357
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
SMILESCc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)ccc1C(N)=O
InChIInChI=1S/C21H26N2O2/c1-14-13-17(10-11-18(14)20(22)25)23-19(24)12-7-15-5-8-16(9-6-15)21(2,3)4/h5-6,8-11,13H,7,12H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyYLENXHWTCNKQGL-UHFFFAOYSA-N
XLogP3.96
TPSA72.19 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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
CID 110724921
3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide
CID 11852066
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide?
The IUPAC name of 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide (CID 56517357) is 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide.
What is the SMILES notation for 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide?
The canonical SMILES for 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide is Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)ccc1C(N)=O.
What is the InChIKey of 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide?
The InChIKey is YLENXHWTCNKQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-13-17(10-11-18(14)20(22)25)23-19(24)12-7-15-5-8-16(9-6-15)21(2,3)4/h5-6,8-11,13H,7,12H2,1-4H3,(H2,22,25)(H,23,24).
What are the key properties of 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide?
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide is sourced from PubChem (CID 56517357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).