4-phenyl-N-propan-2-yloxane-4-carboxamide

C15H21NO2 — CID 972737

IUPAC4-phenyl-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C15H21NO2/c1-12(2)16-14(17)15(8-10-18-11-9-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,17)
InChIKeyUKYBNHBBKSAKKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds3

About 4-phenyl-N-propan-2-yloxane-4-carboxamide

4-phenyl-N-propan-2-yloxane-4-carboxamide (PubChem CID 972737) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-phenyl-N-propan-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-propan-2-yloxane-4-carboxamide
PubChem CID972737
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-phenyl-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C15H21NO2/c1-12(2)16-14(17)15(8-10-18-11-9-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,17)
InChIKeyUKYBNHBBKSAKKA-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 305256
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propan-2-yloxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-propan-2-yloxane-4-carboxamide (CID 972737) is 4-phenyl-N-propan-2-yloxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-propan-2-yloxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-propan-2-yloxane-4-carboxamide is CC(C)NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-propan-2-yloxane-4-carboxamide?
The InChIKey is UKYBNHBBKSAKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)16-14(17)15(8-10-18-11-9-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,17).
What are the key properties of 4-phenyl-N-propan-2-yloxane-4-carboxamide?
4-phenyl-N-propan-2-yloxane-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propan-2-yloxane-4-carboxamide is sourced from PubChem (CID 972737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).