N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide

C16H23NO2 — CID 42789460

IUPACN-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
SMILESCc1ccccc1CN(C(=O)C1CCCO1)C(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)17(16(18)15-9-6-10-19-15)11-14-8-5-4-7-13(14)3/h4-5,7-8,12,15H,6,9-11H2,1-3H3
InChIKeyYQYCWJPLTIRCRY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide

N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide (PubChem CID 42789460) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
PubChem CID42789460
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
SMILESCc1ccccc1CN(C(=O)C1CCCO1)C(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)17(16(18)15-9-6-10-19-15)11-14-8-5-4-7-13(14)3/h4-5,7-8,12,15H,6,9-11H2,1-3H3
InChIKeyYQYCWJPLTIRCRY-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
(4-Benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 3860526
N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 2970814
N-ethyl-1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24793902
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
CID 6464301
2-(2-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6465369
N-[1-(2,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 6469248
N-(1,2,3,4-tetrahydro-1-naphthalenyl)tetrahydro-2-furancarboxamide
CID 2970727
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490
1-(4-Methylbenzyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2971292
N-(diphenylmethyl)oxolane-2-carboxamide
CID 3155117

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide (CID 42789460) is N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide is Cc1ccccc1CN(C(=O)C1CCCO1)C(C)C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is YQYCWJPLTIRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)17(16(18)15-9-6-10-19-15)11-14-8-5-4-7-13(14)3/h4-5,7-8,12,15H,6,9-11H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide?
N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 42789460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).