3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide

C14H22N2O2 — CID 81411204

IUPAC3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
SMILESCCC(CC)(CO)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-3-14(4-2,10-17)9-16-12-7-5-6-11(8-12)13(15)18/h5-8,16-17H,3-4,9-10H2,1-2H3,(H2,15,18)
InChIKeyFHPYCUISWOYEOJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds7

About 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide

3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide (PubChem CID 81411204) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
PubChem CID81411204
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
SMILESCCC(CC)(CO)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-3-14(4-2,10-17)9-16-12-7-5-6-11(8-12)13(15)18/h5-8,16-17H,3-4,9-10H2,1-2H3,(H2,15,18)
InChIKeyFHPYCUISWOYEOJ-UHFFFAOYSA-N
XLogP2.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
CID 81411805
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanoyl]amino]benzamide
CID 107811794
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
CID 111121610
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803
ethyl 3-(2,2-dimethylpropylamino)benzoate
CID 61325546
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
CID 81412463
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide?
The IUPAC name of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide (CID 81411204) is 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide.
What is the SMILES notation for 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide?
The canonical SMILES for 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide is CCC(CC)(CO)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide?
The InChIKey is FHPYCUISWOYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(4-2,10-17)9-16-12-7-5-6-11(8-12)13(15)18/h5-8,16-17H,3-4,9-10H2,1-2H3,(H2,15,18).
What are the key properties of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide?
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide is sourced from PubChem (CID 81411204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).