3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide

C13H19N3O2 — CID 61476831

IUPAC3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
SMILESCCNC(=O)C(C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-3-15-13(18)9(2)16-8-10-5-4-6-11(7-10)12(14)17/h4-7,9,16H,3,8H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyMAUCGIBULXXKNZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.40
Rot. Bonds6

About 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide

3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide (PubChem CID 61476831) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
PubChem CID61476831
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
SMILESCCNC(=O)C(C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-3-15-13(18)9(2)16-8-10-5-4-6-11(7-10)12(14)17/h4-7,9,16H,3,8H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyMAUCGIBULXXKNZ-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide (CID 61476831) is 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide is CCNC(=O)C(C)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
The InChIKey is MAUCGIBULXXKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15-13(18)9(2)16-8-10-5-4-6-11(7-10)12(14)17/h4-7,9,16H,3,8H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 61476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).