3-(oxan-4-yl)-N-(1-phenylethyl)propanamide

C16H23NO2 — CID 84578473

IUPAC3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCC1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(15-5-3-2-4-6-15)17-16(18)8-7-14-9-11-19-12-10-14/h2-6,13-14H,7-12H2,1H3,(H,17,18)
InChIKeyJWMUHBREBPRNSC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.07
Rot. Bonds5

About 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide

3-(oxan-4-yl)-N-(1-phenylethyl)propanamide (PubChem CID 84578473) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
PubChem CID84578473
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCC1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(15-5-3-2-4-6-15)17-16(18)8-7-14-9-11-19-12-10-14/h2-6,13-14H,7-12H2,1H3,(H,17,18)
InChIKeyJWMUHBREBPRNSC-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
(2S)-2-[3-(oxan-4-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366510
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
3-(3-cyclopropylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 119219119
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-(3-cyclobutylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 120522194
2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
CID 124565645
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978
2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide
CID 71994809

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide (CID 84578473) is 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCC1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is JWMUHBREBPRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(15-5-3-2-4-6-15)17-16(18)8-7-14-9-11-19-12-10-14/h2-6,13-14H,7-12H2,1H3,(H,17,18).
What are the key properties of 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide?
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 84578473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).