4-[(2R)-4-aminobutan-2-yl]benzamide

C11H16N2O — CID 70592711

IUPAC4-[(2R)-4-aminobutan-2-yl]benzamide
SMILESC[C@H](CCN)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16N2O/c1-8(6-7-12)9-2-4-10(5-3-9)11(13)14/h2-5,8H,6-7,12H2,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyQQXUNUWYUYFSEW-MRVPVSSYSA-N
MW192.26 g/mol
LogP1.24
Rot. Bonds4

About 4-[(2R)-4-aminobutan-2-yl]benzamide

4-[(2R)-4-aminobutan-2-yl]benzamide (PubChem CID 70592711) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(2R)-4-aminobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(2R)-4-aminobutan-2-yl]benzamide
PubChem CID70592711
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-[(2R)-4-aminobutan-2-yl]benzamide
SMILESC[C@H](CCN)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16N2O/c1-8(6-7-12)9-2-4-10(5-3-9)11(13)14/h2-5,8H,6-7,12H2,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyQQXUNUWYUYFSEW-MRVPVSSYSA-N
XLogP1.24
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxyethyl)benzamide
CID 22716490
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
3-[4-(difluoromethyl)phenyl]butan-1-amine
CID 117288660
4-(3-methylpentan-2-yl)benzamide
CID 126657369
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide
CID 173443501
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
4-(1-hydroxypropyl)benzamide
CID 118219631
4-(7-methyloctan-4-yl)benzamide
CID 143698949
benzene-1,4-dicarboxamide;5,6-dimethylheptane-1,6-diamine
CID 23220130
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-aminobutan-2-yl]benzamide?
The IUPAC name of 4-[(2R)-4-aminobutan-2-yl]benzamide (CID 70592711) is 4-[(2R)-4-aminobutan-2-yl]benzamide.
What is the SMILES notation for 4-[(2R)-4-aminobutan-2-yl]benzamide?
The canonical SMILES for 4-[(2R)-4-aminobutan-2-yl]benzamide is C[C@H](CCN)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2R)-4-aminobutan-2-yl]benzamide?
The InChIKey is QQXUNUWYUYFSEW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(6-7-12)9-2-4-10(5-3-9)11(13)14/h2-5,8H,6-7,12H2,1H3,(H2,13,14)/t8-/m1/s1.
What are the key properties of 4-[(2R)-4-aminobutan-2-yl]benzamide?
4-[(2R)-4-aminobutan-2-yl]benzamide has a molecular weight of 192.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-aminobutan-2-yl]benzamide is sourced from PubChem (CID 70592711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).