3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide

C12H17N3O2 — CID 43566996

IUPAC3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCCNC(=O)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-2-15-11(16)8-14-7-9-4-3-5-10(6-9)12(13)17/h3-6,14H,2,7-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyQYSZKJSSNLDCSA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.01
Rot. Bonds6

About 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide

3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 43566996) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID43566996
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCCNC(=O)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-2-15-11(16)8-14-7-9-4-3-5-10(6-9)12(13)17/h3-6,14H,2,7-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyQYSZKJSSNLDCSA-UHFFFAOYSA-N
XLogP0.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[[3-(N'-hydroxycarbamimidoyl)phenyl]methylamino]acetamide
CID 77030457
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
CID 81463312
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide (CID 43566996) is 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide is CCNC(=O)CNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is QYSZKJSSNLDCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-15-11(16)8-14-7-9-4-3-5-10(6-9)12(13)17/h3-6,14H,2,7-8H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide?
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 43566996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).