4-(3-methylpentan-2-yl)benzamide

C13H19NO — CID 126657369

IUPAC4-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19NO/c1-4-9(2)10(3)11-5-7-12(8-6-11)13(14)15/h5-10H,4H2,1-3H3,(H2,14,15)
InChIKeyIESBRDDKBIBTJL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.94
Rot. Bonds4

About 4-(3-methylpentan-2-yl)benzamide

4-(3-methylpentan-2-yl)benzamide (PubChem CID 126657369) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylpentan-2-yl)benzamide
PubChem CID126657369
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19NO/c1-4-9(2)10(3)11-5-7-12(8-6-11)13(14)15/h5-10H,4H2,1-3H3,(H2,14,15)
InChIKeyIESBRDDKBIBTJL-UHFFFAOYSA-N
XLogP2.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-hydroxypropyl)benzamide
CID 118219631
4-(1-hydroxyethyl)benzamide
CID 22716490
tert-butyl (2S)-2-(4-carbamoylphenyl)propanoate
CID 174465527
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
4-(7-methyloctan-4-yl)benzamide
CID 143698949
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 4-(3-methylpentan-2-yl)benzamide (CID 126657369) is 4-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(3-methylpentan-2-yl)benzamide?
The InChIKey is IESBRDDKBIBTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-9(2)10(3)11-5-7-12(8-6-11)13(14)15/h5-10H,4H2,1-3H3,(H2,14,15).
What are the key properties of 4-(3-methylpentan-2-yl)benzamide?
4-(3-methylpentan-2-yl)benzamide has a molecular weight of 205.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 126657369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).