N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C17H21N3O3 — CID 111460103

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NCC1CCCC(O)C1
InChIInChI=1S/C17H21N3O3/c21-13-5-3-4-12(8-13)9-19-16(22)11-20-15-7-2-1-6-14(15)18-10-17(20)23/h1-2,6-7,10,12-13,21H,3-5,8-9,11H2,(H,19,22)
InChIKeyCBULNKDHPKPYQS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.06
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 111460103) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID111460103
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NCC1CCCC(O)C1
InChIInChI=1S/C17H21N3O3/c21-13-5-3-4-12(8-13)9-19-16(22)11-20-15-7-2-1-6-14(15)18-10-17(20)23/h1-2,6-7,10,12-13,21H,3-5,8-9,11H2,(H,19,22)
InChIKeyCBULNKDHPKPYQS-UHFFFAOYSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 111460103) is N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is CBULNKDHPKPYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-13-5-3-4-12(8-13)9-19-16(22)11-20-15-7-2-1-6-14(15)18-10-17(20)23/h1-2,6-7,10,12-13,21H,3-5,8-9,11H2,(H,19,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 111460103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).