N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide

C21H26N2O2 — CID 17194143

IUPACN-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-14(2)13-20(24)22-18-9-11-19(12-10-18)23-21(25)17-7-5-16(6-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJFFULAOZEVYPMM-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.05
Rot. Bonds6

About N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide

N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide (PubChem CID 17194143) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
PubChem CID17194143
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-14(2)13-20(24)22-18-9-11-19(12-10-18)23-21(25)17-7-5-16(6-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJFFULAOZEVYPMM-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171719
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
CID 5227742
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 22777816
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide (CID 17194143) is N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is JFFULAOZEVYPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)13-20(24)22-18-9-11-19(12-10-18)23-21(25)17-7-5-16(6-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide?
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 17194143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).