N-benzyl-N-propan-2-yloxane-3-carboxamide

C16H23NO2 — CID 110855554

IUPACN-benzyl-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCCOC1
InChIInChI=1S/C16H23NO2/c1-13(2)17(11-14-7-4-3-5-8-14)16(18)15-9-6-10-19-12-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyOBILQFKOVCCIIB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds4

About N-benzyl-N-propan-2-yloxane-3-carboxamide

N-benzyl-N-propan-2-yloxane-3-carboxamide (PubChem CID 110855554) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yloxane-3-carboxamide
PubChem CID110855554
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-benzyl-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCCOC1
InChIInChI=1S/C16H23NO2/c1-13(2)17(11-14-7-4-3-5-8-14)16(18)15-9-6-10-19-12-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyOBILQFKOVCCIIB-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976
(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide
CID 167114525
(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 52849838
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
N-[(1-methylindol-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 42796301
4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yloxane-3-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yloxane-3-carboxamide (CID 110855554) is N-benzyl-N-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yloxane-3-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yloxane-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCCOC1.
What is the InChIKey of N-benzyl-N-propan-2-yloxane-3-carboxamide?
The InChIKey is OBILQFKOVCCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)17(11-14-7-4-3-5-8-14)16(18)15-9-6-10-19-12-15/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yloxane-3-carboxamide?
N-benzyl-N-propan-2-yloxane-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 110855554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).