N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide

C17H25NO2 — CID 78810784

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
SMILESCCc1ccc(C(NC(=O)C2CCCO2)C(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-4-13-7-9-14(10-8-13)16(12(2)3)18-17(19)15-6-5-11-20-15/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyJILJQZKRXQSECS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide

N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide (PubChem CID 78810784) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
PubChem CID78810784
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
SMILESCCc1ccc(C(NC(=O)C2CCCO2)C(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-4-13-7-9-14(10-8-13)16(12(2)3)18-17(19)15-6-5-11-20-15/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyJILJQZKRXQSECS-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 61273456
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
(2R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]oxolane-2-carboxamide
CID 39968344
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]oxolane-2-carboxamide
CID 96504930
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide (CID 78810784) is N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide is CCc1ccc(C(NC(=O)C2CCCO2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide?
The InChIKey is JILJQZKRXQSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-13-7-9-14(10-8-13)16(12(2)3)18-17(19)15-6-5-11-20-15/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide is sourced from PubChem (CID 78810784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).