N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide

C12H18N2O2 — CID 159530165

IUPACN,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide
SMILESCNC(=O)C(C)Cc1noc2c1CCCC2
InChIInChI=1S/C12H18N2O2/c1-8(12(15)13-2)7-10-9-5-3-4-6-11(9)16-14-10/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyFUSVGFZXUVNDOU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds3

About N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide

N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide (PubChem CID 159530165) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide
PubChem CID159530165
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide
SMILESCNC(=O)C(C)Cc1noc2c1CCCC2
InChIInChI=1S/C12H18N2O2/c1-8(12(15)13-2)7-10-9-5-3-4-6-11(9)16-14-10/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyFUSVGFZXUVNDOU-UHFFFAOYSA-N
XLogP1.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide?
The IUPAC name of N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide (CID 159530165) is N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide?
The canonical SMILES for N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide is CNC(=O)C(C)Cc1noc2c1CCCC2.
What is the InChIKey of N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide?
The InChIKey is FUSVGFZXUVNDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(12(15)13-2)7-10-9-5-3-4-6-11(9)16-14-10/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide?
N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 159530165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).