3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide

C17H25NO3 — CID 77086969

IUPAC3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
SMILESCN(CCC1CCCCO1)C(=O)CCc1cccc(O)c1
InChIInChI=1S/C17H25NO3/c1-18(11-10-16-7-2-3-12-21-16)17(20)9-8-14-5-4-6-15(19)13-14/h4-6,13,16,19H,2-3,7-12H2,1H3
InChIKeyUOFSBEUKIMSXLF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.74
Rot. Bonds6

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

3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide (PubChem CID 77086969) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
PubChem CID77086969
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
SMILESCN(CCC1CCCCO1)C(=O)CCc1cccc(O)c1
InChIInChI=1S/C17H25NO3/c1-18(11-10-16-7-2-3-12-21-16)17(20)9-8-14-5-4-6-15(19)13-14/h4-6,13,16,19H,2-3,7-12H2,1H3
InChIKeyUOFSBEUKIMSXLF-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110614302
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
CID 107736146
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110614300
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide (CID 77086969) is 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide is CN(CCC1CCCCO1)C(=O)CCc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
The InChIKey is UOFSBEUKIMSXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18(11-10-16-7-2-3-12-21-16)17(20)9-8-14-5-4-6-15(19)13-14/h4-6,13,16,19H,2-3,7-12H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide?
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide is sourced from PubChem (CID 77086969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).