3-butyl-2-hydroxy-N,N-dimethylbenzamide

C13H19NO2 — CID 22930623

IUPAC3-butyl-2-hydroxy-N,N-dimethylbenzamide
SMILESCCCCc1cccc(C(=O)N(C)C)c1O
InChIInChI=1S/C13H19NO2/c1-4-5-7-10-8-6-9-11(12(10)15)13(16)14(2)3/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyJWSBQYCGIZQUBN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds4

About 3-butyl-2-hydroxy-N,N-dimethylbenzamide

3-butyl-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 22930623) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-butyl-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-butyl-2-hydroxy-N,N-dimethylbenzamide
PubChem CID22930623
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-butyl-2-hydroxy-N,N-dimethylbenzamide
SMILESCCCCc1cccc(C(=O)N(C)C)c1O
InChIInChI=1S/C13H19NO2/c1-4-5-7-10-8-6-9-11(12(10)15)13(16)14(2)3/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyJWSBQYCGIZQUBN-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-2-hydroxybenzoic acid
CID 18681512
3-heptyl-2-hydroxybenzoic acid
CID 67845198
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
3-butylphthalate
CID 22401953
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
1-N',8-N'-bis(3-butyl-2-hydroxybenzoyl)-2,7-diethyloctanedihydrazide
CID 101306098
sodium 3-butyl-2-methylbenzoate
CID 67715535
bis(3-butylphthalate);cobalt
CID 158616915
2-(aminomethyl)-6-butylphenol
CID 142528852
2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide
CID 101306110
(2-hexylphenyl) 3-hexyl-2-hydroxybenzoate
CID 54026467

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-butyl-2-hydroxy-N,N-dimethylbenzamide (CID 22930623) is 3-butyl-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-butyl-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-butyl-2-hydroxy-N,N-dimethylbenzamide is CCCCc1cccc(C(=O)N(C)C)c1O.
What is the InChIKey of 3-butyl-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is JWSBQYCGIZQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-5-7-10-8-6-9-11(12(10)15)13(16)14(2)3/h6,8-9,15H,4-5,7H2,1-3H3.
What are the key properties of 3-butyl-2-hydroxy-N,N-dimethylbenzamide?
3-butyl-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 22930623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).