N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C14H23N3O2 — CID 46280222

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1noc2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-4-17(10-9-16(2)3)14(18)13-11-7-5-6-8-12(11)19-15-13/h4-10H2,1-3H3
InChIKeyVLGPUGRXPJUSTF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 46280222) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID46280222
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1noc2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-4-17(10-9-16(2)3)14(18)13-11-7-5-6-8-12(11)19-15-13/h4-10H2,1-3H3
InChIKeyVLGPUGRXPJUSTF-UHFFFAOYSA-N
XLogP1.58
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 46280222) is N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CCN(CCN(C)C)C(=O)c1noc2c1CCCC2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is VLGPUGRXPJUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17(10-9-16(2)3)14(18)13-11-7-5-6-8-12(11)19-15-13/h4-10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 46280222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).