2-amino-5-(oxolan-3-ylamino)benzamide

C11H15N3O2 — CID 80713796

IUPAC2-amino-5-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCOC2)ccc1N
InChIInChI=1S/C11H15N3O2/c12-10-2-1-7(5-9(10)11(13)15)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6,12H2,(H2,13,15)
InChIKeyQNJXWDVPDBHGOM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-5-(oxolan-3-ylamino)benzamide

2-amino-5-(oxolan-3-ylamino)benzamide (PubChem CID 80713796) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-5-(oxolan-3-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(oxolan-3-ylamino)benzamide
PubChem CID80713796
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-5-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCOC2)ccc1N
InChIInChI=1S/C11H15N3O2/c12-10-2-1-7(5-9(10)11(13)15)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6,12H2,(H2,13,15)
InChIKeyQNJXWDVPDBHGOM-UHFFFAOYSA-N
XLogP0.57
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.57
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

1-[2-amino-5-(oxolan-3-ylamino)phenyl]ethanone
CID 104613018
2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
CID 114115332
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
2-amino-3-(oxolan-3-ylamino)benzamide
CID 115546663
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405
2-fluoro-5-(oxepan-4-ylamino)benzamide
CID 65082139
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747
4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80714281
4-N-(oxan-4-yl)benzene-1,2,4-triamine
CID 106750455
1-[2-amino-4-(oxan-4-ylamino)phenyl]ethanone
CID 113423204

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(oxolan-3-ylamino)benzamide?
The IUPAC name of 2-amino-5-(oxolan-3-ylamino)benzamide (CID 80713796) is 2-amino-5-(oxolan-3-ylamino)benzamide.
What is the SMILES notation for 2-amino-5-(oxolan-3-ylamino)benzamide?
The canonical SMILES for 2-amino-5-(oxolan-3-ylamino)benzamide is NC(=O)c1cc(NC2CCOC2)ccc1N.
What is the InChIKey of 2-amino-5-(oxolan-3-ylamino)benzamide?
The InChIKey is QNJXWDVPDBHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-10-2-1-7(5-9(10)11(13)15)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6,12H2,(H2,13,15).
What are the key properties of 2-amino-5-(oxolan-3-ylamino)benzamide?
2-amino-5-(oxolan-3-ylamino)benzamide has a molecular weight of 221.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(oxolan-3-ylamino)benzamide is sourced from PubChem (CID 80713796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).