N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide

C16H23NO3 — CID 71860828

IUPACN-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)(NC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(12-19-2,14-6-4-3-5-7-14)17-15(18)13-8-10-20-11-9-13/h3-7,13H,8-12H2,1-2H3,(H,17,18)
InChIKeyNRUBFADVUWOHNN-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.09
Rot. Bonds5

About N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide

N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide (PubChem CID 71860828) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide
PubChem CID71860828
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)(NC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(12-19-2,14-6-4-3-5-7-14)17-15(18)13-8-10-20-11-9-13/h3-7,13H,8-12H2,1-2H3,(H,17,18)
InChIKeyNRUBFADVUWOHNN-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide (CID 71860828) is N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide is COCC(C)(NC(=O)C1CCOCC1)c1ccccc1.
What is the InChIKey of N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide?
The InChIKey is NRUBFADVUWOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(12-19-2,14-6-4-3-5-7-14)17-15(18)13-8-10-20-11-9-13/h3-7,13H,8-12H2,1-2H3,(H,17,18).
What are the key properties of N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide?
N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-phenylpropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 71860828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).