3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide

C17H27N3O2 — CID 54820598

IUPAC3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNCC)c1
InChIInChI=1S/C17H27N3O2/c1-4-10-20(11-5-2)17(22)14-8-7-9-15(12-14)19-16(21)13-18-6-3/h7-9,12,18H,4-6,10-11,13H2,1-3H3,(H,19,21)
InChIKeyWKHFGYOVULVASJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.50
Rot. Bonds9

About 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54820598) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54820598
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNCC)c1
InChIInChI=1S/C17H27N3O2/c1-4-10-20(11-5-2)17(22)14-8-7-9-15(12-14)19-16(21)13-18-6-3/h7-9,12,18H,4-6,10-11,13H2,1-3H3,(H,19,21)
InChIKeyWKHFGYOVULVASJ-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide (CID 54820598) is 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNCC)c1.
What is the InChIKey of 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is WKHFGYOVULVASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-10-20(11-5-2)17(22)14-8-7-9-15(12-14)19-16(21)13-18-6-3/h7-9,12,18H,4-6,10-11,13H2,1-3H3,(H,19,21).
What are the key properties of 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54820598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).