N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

C18H26N2O4 — CID 39067719

IUPACN-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCOCCCNC(=O)CN1CC(=O)Oc2cc(C)ccc21
InChIInChI=1S/C18H26N2O4/c1-3-4-9-23-10-5-8-19-17(21)12-20-13-18(22)24-16-11-14(2)6-7-15(16)20/h6-7,11H,3-5,8-10,12-13H2,1-2H3,(H,19,21)
InChIKeyQDVPBLLKBVLOOO-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.04
Rot. Bonds9

About N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 39067719) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID39067719
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCOCCCNC(=O)CN1CC(=O)Oc2cc(C)ccc21
InChIInChI=1S/C18H26N2O4/c1-3-4-9-23-10-5-8-19-17(21)12-20-13-18(22)24-16-11-14(2)6-7-15(16)20/h6-7,11H,3-5,8-10,12-13H2,1-2H3,(H,19,21)
InChIKeyQDVPBLLKBVLOOO-UHFFFAOYSA-N
XLogP2.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 39067795
N-(4-acetamidophenyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060264
ethyl 4-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39059882
N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069187
N-(3-hydroxypropyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061019
2-chloro-5-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 39060055
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide
CID 39067403
2-(7-ethylsulfonyl-2-oxo-3H-1,4-benzoxazin-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 39068310
N-(3-butoxypropyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 43037553
N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068863
N-cyclooctyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061409
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061119

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 39067719) is N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is CCCCOCCCNC(=O)CN1CC(=O)Oc2cc(C)ccc21.
What is the InChIKey of N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is QDVPBLLKBVLOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-4-9-23-10-5-8-19-17(21)12-20-13-18(22)24-16-11-14(2)6-7-15(16)20/h6-7,11H,3-5,8-10,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 39067719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).