N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide

C16H21NO2 — CID 50962275

IUPACN-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)C1CCOC1
InChIInChI=1S/C16H21NO2/c1-2-17(16(18)15-10-12-19-13-15)11-6-9-14-7-4-3-5-8-14/h3-9,15H,2,10-13H2,1H3/b9-6+
InChIKeyXTEXLSUTALYBHN-RMKNXTFCSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds5

About N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide

N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide (PubChem CID 50962275) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
PubChem CID50962275
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)C1CCOC1
InChIInChI=1S/C16H21NO2/c1-2-17(16(18)15-10-12-19-13-15)11-6-9-14-7-4-3-5-8-14/h3-9,15H,2,10-13H2,1H3/b9-6+
InChIKeyXTEXLSUTALYBHN-RMKNXTFCSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
3-[3-[[methyl(oxolane-3-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907362
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 91841784
N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50963327
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide
CID 74249157
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
CID 133119161
N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide
CID 171134718
(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
CID 95620326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide?
The IUPAC name of N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide (CID 50962275) is N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide is CCN(C/C=C/c1ccccc1)C(=O)C1CCOC1.
What is the InChIKey of N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide?
The InChIKey is XTEXLSUTALYBHN-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-17(16(18)15-10-12-19-13-15)11-6-9-14-7-4-3-5-8-14/h3-9,15H,2,10-13H2,1H3/b9-6+.
What are the key properties of N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide?
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide is sourced from PubChem (CID 50962275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).