3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide

C15H23N3O3 — CID 82990686

IUPAC3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2(O)CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-2-17-14(19)11-3-4-13(12(16)9-11)18-10-15(20)5-7-21-8-6-15/h3-4,9,18,20H,2,5-8,10,16H2,1H3,(H,17,19)
InChIKeyMEXXDOKOQPZGPE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide

3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide (PubChem CID 82990686) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
PubChem CID82990686
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2(O)CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-2-17-14(19)11-3-4-13(12(16)9-11)18-10-15(20)5-7-21-8-6-15/h3-4,9,18,20H,2,5-8,10,16H2,1H3,(H,17,19)
InChIKeyMEXXDOKOQPZGPE-UHFFFAOYSA-N
XLogP0.97
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
CID 81133978
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
CID 65108096
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 106007399
3-amino-4-anilino-N-ethylbenzamide
CID 82999542

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide (CID 82990686) is 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide is CCNC(=O)c1ccc(NCC2(O)CCOCC2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide?
The InChIKey is MEXXDOKOQPZGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-17-14(19)11-3-4-13(12(16)9-11)18-10-15(20)5-7-21-8-6-15/h3-4,9,18,20H,2,5-8,10,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide?
3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide has a molecular weight of 293.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide is sourced from PubChem (CID 82990686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).