2-[(2R)-2-aminobutyl]benzamide

C11H16N2O — CID 96928036

IUPAC2-[(2R)-2-aminobutyl]benzamide
SMILESCC[C@@H](N)Cc1ccccc1C(N)=O
InChIInChI=1S/C11H16N2O/c1-2-9(12)7-8-5-3-4-6-10(8)11(13)14/h3-6,9H,2,7,12H2,1H3,(H2,13,14)/t9-/m1/s1
InChIKeyTWXWOIJXXFAQRC-SECBINFHSA-N
MW192.26 g/mol
LogP1.07
Rot. Bonds4

About 2-[(2R)-2-aminobutyl]benzamide

2-[(2R)-2-aminobutyl]benzamide (PubChem CID 96928036) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(2R)-2-aminobutyl]benzamide.

Molecular Properties

Compound Name2-[(2R)-2-aminobutyl]benzamide
PubChem CID96928036
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[(2R)-2-aminobutyl]benzamide
SMILESCC[C@@H](N)Cc1ccccc1C(N)=O
InChIInChI=1S/C11H16N2O/c1-2-9(12)7-8-5-3-4-6-10(8)11(13)14/h3-6,9H,2,7,12H2,1H3,(H2,13,14)/t9-/m1/s1
InChIKeyTWXWOIJXXFAQRC-SECBINFHSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-(4-aminooctyl)benzamide
CID 57359484
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
2-butylbenzamide
CID 15468173
(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate
CID 7146206
2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
CID 18660310
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
2-octylbenzamide
CID 11148995
2-(2-aminopropylsulfanylmethyl)benzamide
CID 66218202
methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminobutyl]benzamide?
The IUPAC name of 2-[(2R)-2-aminobutyl]benzamide (CID 96928036) is 2-[(2R)-2-aminobutyl]benzamide.
What is the SMILES notation for 2-[(2R)-2-aminobutyl]benzamide?
The canonical SMILES for 2-[(2R)-2-aminobutyl]benzamide is CC[C@@H](N)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2R)-2-aminobutyl]benzamide?
The InChIKey is TWXWOIJXXFAQRC-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9(12)7-8-5-3-4-6-10(8)11(13)14/h3-6,9H,2,7,12H2,1H3,(H2,13,14)/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-aminobutyl]benzamide?
2-[(2R)-2-aminobutyl]benzamide has a molecular weight of 192.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminobutyl]benzamide is sourced from PubChem (CID 96928036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).