N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C16H22N2O4 — CID 5307731

IUPACN-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
InChIInChI=1S/C16H22N2O4/c1-3-21-8-4-7-17-15(19)10-14-16(20)18-12-9-11(2)5-6-13(12)22-14/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNNSKWFGUHOVKQN-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.63
Rot. Bonds7

About N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 5307731) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID5307731
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
InChIInChI=1S/C16H22N2O4/c1-3-21-8-4-7-17-15(19)10-14-16(20)18-12-9-11(2)5-6-13(12)22-14/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNNSKWFGUHOVKQN-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 5307731) is N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is CCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is NNSKWFGUHOVKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-21-8-4-7-17-15(19)10-14-16(20)18-12-9-11(2)5-6-13(12)22-14/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 5307731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).