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

C14H21N3O2 — CID 112688808

IUPAC3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCCN(CC)C(=O)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)13(18)10-16-9-11-6-5-7-12(8-11)14(15)19/h5-8,16H,3-4,9-10H2,1-2H3,(H2,15,19)
InChIKeyOSTDBOIVNQQIGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.74
Rot. Bonds7

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

3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 112688808) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID112688808
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCCN(CC)C(=O)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)13(18)10-16-9-11-6-5-7-12(8-11)14(15)19/h5-8,16H,3-4,9-10H2,1-2H3,(H2,15,19)
InChIKeyOSTDBOIVNQQIGU-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
CID 81463312
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[(propanoylamino)methyl]benzamide
CID 32636451
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide (CID 112688808) is 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide is CCN(CC)C(=O)CNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is OSTDBOIVNQQIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(4-2)13(18)10-16-9-11-6-5-7-12(8-11)14(15)19/h5-8,16H,3-4,9-10H2,1-2H3,(H2,15,19).
What are the key properties of 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide?
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 112688808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).