2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide

C14H21N3O2 — CID 114115332

IUPAC2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
SMILESCC(Nc1ccc(N)c(C(N)=O)c1)C1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-9(10-4-6-19-7-5-10)17-11-2-3-13(15)12(8-11)14(16)18/h2-3,8-10,17H,4-7,15H2,1H3,(H2,16,18)
InChIKeyIGNARACOSQFZNV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.59
Rot. Bonds4

About 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide

2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide (PubChem CID 114115332) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
PubChem CID114115332
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
SMILESCC(Nc1ccc(N)c(C(N)=O)c1)C1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-9(10-4-6-19-7-5-10)17-11-2-3-13(15)12(8-11)14(16)18/h2-3,8-10,17H,4-7,15H2,1H3,(H2,16,18)
InChIKeyIGNARACOSQFZNV-UHFFFAOYSA-N
XLogP1.59
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[1-(oxan-4-yl)ethyl]benzene-1,2,4-triamine
CID 114115072
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone
CID 104528885
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
2-amino-5-(5-methylhexan-2-ylamino)benzamide
CID 63925139
6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
CID 114115082
1-[2-amino-5-(oxolan-3-ylamino)phenyl]ethanone
CID 104613018
4-bromo-1-N-[1-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 89287580
3-iodo-N-[1-(oxan-4-yl)ethyl]aniline
CID 115928305
ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305535

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide?
The IUPAC name of 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide (CID 114115332) is 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide.
What is the SMILES notation for 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide?
The canonical SMILES for 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide is CC(Nc1ccc(N)c(C(N)=O)c1)C1CCOCC1.
What is the InChIKey of 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide?
The InChIKey is IGNARACOSQFZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(10-4-6-19-7-5-10)17-11-2-3-13(15)12(8-11)14(16)18/h2-3,8-10,17H,4-7,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide?
2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide is sourced from PubChem (CID 114115332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).