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

C17H24N2O3 — CID 51197900

IUPACN-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCCCCC(C)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-3-4-5-8-13(2)18-16(20)11-12-19-14-9-6-7-10-15(14)22-17(19)21/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,18,20)
InChIKeyUUGPZJMTJFFWMX-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.07
Rot. Bonds8

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

N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 51197900) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID51197900
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCCCCC(C)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-3-4-5-8-13(2)18-16(20)11-12-19-14-9-6-7-10-15(14)22-17(19)21/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,18,20)
InChIKeyUUGPZJMTJFFWMX-UHFFFAOYSA-N
XLogP3.07
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.07
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-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
CID 8756933
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
3-[2-(butylamino)ethyl]-1,3-benzoxazol-2-one
CID 60765754
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17413824

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 51197900) is N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CCCCCC(C)NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is UUGPZJMTJFFWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-5-8-13(2)18-16(20)11-12-19-14-9-6-7-10-15(14)22-17(19)21/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 51197900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).