4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide

C15H23N3O2 — CID 63361049

IUPAC4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)C2CCCO2)c1
InChIInChI=1S/C15H23N3O2/c1-3-17-15(19)11-6-7-12(16)13(9-11)18-10(2)14-5-4-8-20-14/h6-7,9-10,14,18H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyOSSAAUSXTNBIJO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds5

About 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide

4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide (PubChem CID 63361049) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
PubChem CID63361049
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)C2CCCO2)c1
InChIInChI=1S/C15H23N3O2/c1-3-17-15(19)11-6-7-12(16)13(9-11)18-10(2)14-5-4-8-20-14/h6-7,9-10,14,18H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyOSSAAUSXTNBIJO-UHFFFAOYSA-N
XLogP2.00
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
CID 63358537
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-N-[1-(oxolan-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750412
4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
CID 63360832
ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305535
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
4-nitro-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 82995799
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide (CID 63361049) is 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide is CCNC(=O)c1ccc(N)c(NC(C)C2CCCO2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide?
The InChIKey is OSSAAUSXTNBIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17-15(19)11-6-7-12(16)13(9-11)18-10(2)14-5-4-8-20-14/h6-7,9-10,14,18H,3-5,8,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide?
4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide is sourced from PubChem (CID 63361049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).