3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide

C15H24N2O3 — CID 81412848

IUPAC3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
SMILESCCC(CC)(CO)CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-4-15(5-2,10-18)9-17-12-8-11(14(16)19)6-7-13(12)20-3/h6-8,17-18H,4-5,9-10H2,1-3H3,(H2,16,19)
InChIKeyDJDFWYAZIXFUSH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.00
Rot. Bonds8

About 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide

3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide (PubChem CID 81412848) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
PubChem CID81412848
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
SMILESCCC(CC)(CO)CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-4-15(5-2,10-18)9-17-12-8-11(14(16)19)6-7-13(12)20-3/h6-8,17-18H,4-5,9-10H2,1-3H3,(H2,16,19)
InChIKeyDJDFWYAZIXFUSH-UHFFFAOYSA-N
XLogP2.00
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide
CID 81399723
4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412138
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide?
The IUPAC name of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide (CID 81412848) is 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide?
The canonical SMILES for 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide is CCC(CC)(CO)CNc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide?
The InChIKey is DJDFWYAZIXFUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-15(5-2,10-18)9-17-12-8-11(14(16)19)6-7-13(12)20-3/h6-8,17-18H,4-5,9-10H2,1-3H3,(H2,16,19).
What are the key properties of 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide?
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 81412848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).