3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide

C18H21N3O2 — CID 54820939

IUPAC3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCNCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-3-19-13-17(22)20-15-9-7-8-14(12-15)18(23)21(2)16-10-5-4-6-11-16/h4-12,19H,3,13H2,1-2H3,(H,20,22)
InChIKeyCKZYETGQBKRCED-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.51
Rot. Bonds6

About 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54820939) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54820939
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCNCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-3-19-13-17(22)20-15-9-7-8-14(12-15)18(23)21(2)16-10-5-4-6-11-16/h4-12,19H,3,13H2,1-2H3,(H,20,22)
InChIKeyCKZYETGQBKRCED-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide
CID 87010500
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
1-[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549335
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837466

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide (CID 54820939) is 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide is CCNCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is CKZYETGQBKRCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-19-13-17(22)20-15-9-7-8-14(12-15)18(23)21(2)16-10-5-4-6-11-16/h4-12,19H,3,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 2.51, 6 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-methyl-N-phenylbenzamide is sourced from PubChem (CID 54820939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).