3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide

C13H20N2O3 — CID 115928740

IUPAC3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
SMILESCCOCC(C)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-18-8-9(2)15-11-7-10(13(14)16)5-6-12(11)17-3/h5-7,9,15H,4,8H2,1-3H3,(H2,14,16)
InChIKeyLTGKZLNKWKFERA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.63
Rot. Bonds7

About 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide

3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide (PubChem CID 115928740) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
PubChem CID115928740
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
SMILESCCOCC(C)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-18-8-9(2)15-11-7-10(13(14)16)5-6-12(11)17-3/h5-7,9,15H,4,8H2,1-3H3,(H2,14,16)
InChIKeyLTGKZLNKWKFERA-UHFFFAOYSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
CID 115928738
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955
ethyl 4-amino-3-(1-ethoxypropan-2-ylamino)benzoate
CID 82785251
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
CID 115917084
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide?
The IUPAC name of 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide (CID 115928740) is 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide.
What is the SMILES notation for 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide?
The canonical SMILES for 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide is CCOCC(C)Nc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide?
The InChIKey is LTGKZLNKWKFERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-8-9(2)15-11-7-10(13(14)16)5-6-12(11)17-3/h5-7,9,15H,4,8H2,1-3H3,(H2,14,16).
What are the key properties of 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide?
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide is sourced from PubChem (CID 115928740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).