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

C11H15N3O2 — CID 115546663

IUPAC2-amino-3-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCOC2)c1N
InChIInChI=1S/C11H15N3O2/c12-10-8(11(13)15)2-1-3-9(10)14-7-4-5-16-6-7/h1-3,7,14H,4-6,12H2,(H2,13,15)
InChIKeyYIMMJINJEGNANT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.57
Rot. Bonds3

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

2-amino-3-(oxolan-3-ylamino)benzamide (PubChem CID 115546663) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-3-(oxolan-3-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(oxolan-3-ylamino)benzamide
PubChem CID115546663
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-3-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCOC2)c1N
InChIInChI=1S/C11H15N3O2/c12-10-8(11(13)15)2-1-3-9(10)14-7-4-5-16-6-7/h1-3,7,14H,4-6,12H2,(H2,13,15)
InChIKeyYIMMJINJEGNANT-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

2-amino-3-[(1,1-dioxothian-4-yl)amino]benzamide
CID 115544921
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156
2-amino-5-(oxolan-3-ylamino)benzamide
CID 80713796
2-amino-3-[(4-propylcyclohexyl)amino]benzamide
CID 115545356
1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393400
2-(cyclopropylamino)benzamide
CID 119089293
3-chloro-1-N-(oxan-3-yl)benzene-1,2-diamine
CID 104834544
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
4-chloro-3-(oxolan-3-ylamino)benzamide
CID 63332059
2-nitro-3-N-(oxolan-3-yl)benzene-1,3-diamine
CID 80853654
N-(3-bromo-2-methylphenyl)oxolan-3-amine
CID 115884928
2,3-difluoro-4-(oxolan-3-ylamino)benzenecarbothioamide
CID 114017848

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxolan-3-ylamino)benzamide?
The IUPAC name of 2-amino-3-(oxolan-3-ylamino)benzamide (CID 115546663) is 2-amino-3-(oxolan-3-ylamino)benzamide.
What is the SMILES notation for 2-amino-3-(oxolan-3-ylamino)benzamide?
The canonical SMILES for 2-amino-3-(oxolan-3-ylamino)benzamide is NC(=O)c1cccc(NC2CCOC2)c1N.
What is the InChIKey of 2-amino-3-(oxolan-3-ylamino)benzamide?
The InChIKey is YIMMJINJEGNANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-10-8(11(13)15)2-1-3-9(10)14-7-4-5-16-6-7/h1-3,7,14H,4-6,12H2,(H2,13,15).
What are the key properties of 2-amino-3-(oxolan-3-ylamino)benzamide?
2-amino-3-(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-3-(oxolan-3-ylamino)benzamide is sourced from PubChem (CID 115546663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).