N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide

C16H23NO3 — CID 47472788

IUPACN-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H23NO3/c1-16(2,12-6-8-13(19-3)9-7-12)11-17-15(18)14-5-4-10-20-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyJOPGVTUUGHNONO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide

N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide (PubChem CID 47472788) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
PubChem CID47472788
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H23NO3/c1-16(2,12-6-8-13(19-3)9-7-12)11-17-15(18)14-5-4-10-20-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyJOPGVTUUGHNONO-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300816
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
(1R,2S,4R)-N-[2-(4-methoxyphenyl)-2-methylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129377795
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
CID 99932597
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide
CID 110315083
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790613

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide (CID 47472788) is N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide is COc1ccc(C(C)(C)CNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide?
The InChIKey is JOPGVTUUGHNONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,12-6-8-13(19-3)9-7-12)11-17-15(18)14-5-4-10-20-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide?
N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide is sourced from PubChem (CID 47472788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).