4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide

C18H25NO2 — CID 100686451

IUPAC4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
SMILESO=C(CCCC1CCOCC1)NC/C=C/c1ccccc1
InChIInChI=1S/C18H25NO2/c20-18(10-4-8-17-11-14-21-15-12-17)19-13-5-9-16-6-2-1-3-7-16/h1-3,5-7,9,17H,4,8,10-15H2,(H,19,20)/b9-5+
InChIKeyCRHRYORCOQIDJM-WEVVVXLNSA-N
MW287.40 g/mol
LogP3.41
Rot. Bonds7

About 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide

4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide (PubChem CID 100686451) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide.

Molecular Properties

Compound Name4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
PubChem CID100686451
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
SMILESO=C(CCCC1CCOCC1)NC/C=C/c1ccccc1
InChIInChI=1S/C18H25NO2/c20-18(10-4-8-17-11-14-21-15-12-17)19-13-5-9-16-6-2-1-3-7-16/h1-3,5-7,9,17H,4,8,10-15H2,(H,19,20)/b9-5+
InChIKeyCRHRYORCOQIDJM-WEVVVXLNSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 76940224
methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
CID 66958561
3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 75407300
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
3-phenylprop-2-enylcarbamothioic S-acid
CID 173357040
3-(2-chloroethylsulfonyl)-N-(3-phenylprop-2-enyl)propanamide
CID 54519102
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 99839399
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
3-phenylprop-2-enyl 9-cyclopropylnonanoate
CID 54535707
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
1-phenyl-3-(3-phenylprop-2-enyl)urea
CID 67941809

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide?
The IUPAC name of 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide (CID 100686451) is 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide.
What is the SMILES notation for 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide?
The canonical SMILES for 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide is O=C(CCCC1CCOCC1)NC/C=C/c1ccccc1.
What is the InChIKey of 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide?
The InChIKey is CRHRYORCOQIDJM-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H25NO2/c20-18(10-4-8-17-11-14-21-15-12-17)19-13-5-9-16-6-2-1-3-7-16/h1-3,5-7,9,17H,4,8,10-15H2,(H,19,20)/b9-5+.
What are the key properties of 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide?
4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide has a molecular weight of 287.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide is sourced from PubChem (CID 100686451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).