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

C12H17N3O2 — CID 103603772

IUPAC3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCNC(=O)C(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-3-14-12(17)8(2)15-10-6-4-5-9(7-10)11(13)16/h4-8,15H,3H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyKZTREDDPWAAHFF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.72
Rot. Bonds5

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

3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 103603772) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID103603772
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCNC(=O)C(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-3-14-12(17)8(2)15-10-6-4-5-9(7-10)11(13)16/h4-8,15H,3H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyKZTREDDPWAAHFF-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
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CID 63356519
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
4-[2-(3-acetylanilino)propanoylamino]benzamide
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3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
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(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 35996003
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
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CID 61258270

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide (CID 103603772) is 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide is CCNC(=O)C(C)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is KZTREDDPWAAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-14-12(17)8(2)15-10-6-4-5-9(7-10)11(13)16/h4-8,15H,3H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.72, 5 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]benzamide is sourced from PubChem (CID 103603772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).