N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H22N2O3 — CID 46515889

IUPACN-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCCC(C)NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H22N2O3/c1-3-4-5-8-12(2)17-15(19)11-18-13-9-6-7-10-14(13)21-16(18)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,19)
InChIKeyVSULLQSLNAKCBJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.68
Rot. Bonds7

About N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 46515889) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID46515889
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCCC(C)NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H22N2O3/c1-3-4-5-8-12(2)17-15(19)11-18-13-9-6-7-10-14(13)21-16(18)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,19)
InChIKeyVSULLQSLNAKCBJ-UHFFFAOYSA-N
XLogP2.68
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 74711303
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30872826

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 46515889) is N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCCCCC(C)NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is VSULLQSLNAKCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-5-8-12(2)17-15(19)11-18-13-9-6-7-10-14(13)21-16(18)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,19).
What are the key properties of N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 46515889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).