N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide

C18H27NO2 — CID 31962742

IUPACN-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCOCC1
InChIInChI=1S/C18H27NO2/c1-12(2)15-6-5-7-16(13(3)4)17(15)19-18(20)14-8-10-21-11-9-14/h5-7,12-14H,8-11H2,1-4H3,(H,19,20)
InChIKeyQTHAIOJAXNVTMH-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.30
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide

N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide (PubChem CID 31962742) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
PubChem CID31962742
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCOCC1
InChIInChI=1S/C18H27NO2/c1-12(2)15-6-5-7-16(13(3)4)17(15)19-18(20)14-8-10-21-11-9-14/h5-7,12-14H,8-11H2,1-4H3,(H,19,20)
InChIKeyQTHAIOJAXNVTMH-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006797
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide
CID 154756403
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide (CID 31962742) is N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1CCOCC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide?
The InChIKey is QTHAIOJAXNVTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12(2)15-6-5-7-16(13(3)4)17(15)19-18(20)14-8-10-21-11-9-14/h5-7,12-14H,8-11H2,1-4H3,(H,19,20).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 31962742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).