N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide

C16H23NO3 — CID 107736146

IUPACN-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
SMILESCCN(C(=O)CCC1CCCCO1)c1cccc(O)c1
InChIInChI=1S/C16H23NO3/c1-2-17(13-6-5-7-14(18)12-13)16(19)10-9-15-8-3-4-11-20-15/h5-7,12,15,18H,2-4,8-11H2,1H3
InChIKeyVTPIMEAJCDHUII-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds5

About N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide

N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide (PubChem CID 107736146) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
PubChem CID107736146
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
SMILESCCN(C(=O)CCC1CCCCO1)c1cccc(O)c1
InChIInChI=1S/C16H23NO3/c1-2-17(13-6-5-7-14(18)12-13)16(19)10-9-15-8-3-4-11-20-15/h5-7,12,15,18H,2-4,8-11H2,1H3
InChIKeyVTPIMEAJCDHUII-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65157552
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
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N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138072
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-N-(3-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212541
2-(1-aminocyclohexyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide (CID 107736146) is N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide is CCN(C(=O)CCC1CCCCO1)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is VTPIMEAJCDHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-17(13-6-5-7-14(18)12-13)16(19)10-9-15-8-3-4-11-20-15/h5-7,12,15,18H,2-4,8-11H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide?
N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 277.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 107736146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).