3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide

C13H18N2O2 — CID 54915842

IUPAC3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c14-11-4-1-3-10(9-11)13(16)15-7-6-12-5-2-8-17-12/h1,3-4,9,12H,2,5-8,14H2,(H,15,16)
InChIKeyCCIHYWKNYYMJAN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide

3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 54915842) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID54915842
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c14-11-4-1-3-10(9-11)13(16)15-7-6-12-5-2-8-17-12/h1,3-4,9,12H,2,5-8,14H2,(H,15,16)
InChIKeyCCIHYWKNYYMJAN-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 54917511

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 54915842) is 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide is Nc1cccc(C(=O)NCCC2CCCO2)c1.
What is the InChIKey of 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is CCIHYWKNYYMJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-4-1-3-10(9-11)13(16)15-7-6-12-5-2-8-17-12/h1,3-4,9,12H,2,5-8,14H2,(H,15,16).
What are the key properties of 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide?
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 54915842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).