4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide

C14H21N3O3 — CID 106099441

IUPAC4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC1(O)CCOC1
InChIInChI=1S/C14H21N3O3/c1-2-16-13(18)11-4-3-10(15)7-12(11)17-8-14(19)5-6-20-9-14/h3-4,7,17,19H,2,5-6,8-9,15H2,1H3,(H,16,18)
InChIKeyUHWJCILTBMIYBA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.58
Rot. Bonds5

About 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide

4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide (PubChem CID 106099441) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
PubChem CID106099441
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC1(O)CCOC1
InChIInChI=1S/C14H21N3O3/c1-2-16-13(18)11-4-3-10(15)7-12(11)17-8-14(19)5-6-20-9-14/h3-4,7,17,19H,2,5-6,8-9,15H2,1H3,(H,16,18)
InChIKeyUHWJCILTBMIYBA-UHFFFAOYSA-N
XLogP0.58
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.58
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
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 82990686
4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
CID 65102756
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide (CID 106099441) is 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide is CCNC(=O)c1ccc(N)cc1NCC1(O)CCOC1.
What is the InChIKey of 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide?
The InChIKey is UHWJCILTBMIYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-16-13(18)11-4-3-10(15)7-12(11)17-8-14(19)5-6-20-9-14/h3-4,7,17,19H,2,5-6,8-9,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide?
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide is sourced from PubChem (CID 106099441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).