2-[2-(butanoylamino)ethyl]benzamide

C13H18N2O2 — CID 66868335

IUPAC2-[2-(butanoylamino)ethyl]benzamide
SMILESCCCC(=O)NCCc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O2/c1-2-5-12(16)15-9-8-10-6-3-4-7-11(10)13(14)17/h3-4,6-7H,2,5,8-9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVOJSSGMGRFLPPC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.24
Rot. Bonds6

About 2-[2-(butanoylamino)ethyl]benzamide

2-[2-(butanoylamino)ethyl]benzamide (PubChem CID 66868335) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(butanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(butanoylamino)ethyl]benzamide
PubChem CID66868335
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-(butanoylamino)ethyl]benzamide
SMILESCCCC(=O)NCCc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O2/c1-2-5-12(16)15-9-8-10-6-3-4-7-11(10)13(14)17/h3-4,6-7H,2,5,8-9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVOJSSGMGRFLPPC-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(ethylamino)ethyl]benzamide
CID 70462261
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-butylbenzamide
CID 15468173
2-(2-benzamidoethyl)benzamide
CID 173153264
2-[3-[(2-bromoacetyl)amino]propyl]benzamide
CID 71433070
2-octylbenzamide
CID 11148995
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
2-[[(2-hydroxyacetyl)amino]methyl]benzamide
CID 173201145
2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
CID 69088444
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butanoylamino)ethyl]benzamide?
The IUPAC name of 2-[2-(butanoylamino)ethyl]benzamide (CID 66868335) is 2-[2-(butanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-[2-(butanoylamino)ethyl]benzamide?
The canonical SMILES for 2-[2-(butanoylamino)ethyl]benzamide is CCCC(=O)NCCc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(butanoylamino)ethyl]benzamide?
The InChIKey is VOJSSGMGRFLPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-5-12(16)15-9-8-10-6-3-4-7-11(10)13(14)17/h3-4,6-7H,2,5,8-9H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[2-(butanoylamino)ethyl]benzamide?
2-[2-(butanoylamino)ethyl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butanoylamino)ethyl]benzamide is sourced from PubChem (CID 66868335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).