N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide

C15H21NO4 — CID 107301902

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C15H21NO4/c1-11(20-13-6-4-3-5-7-13)14(17)16-10-15(18)8-9-19-12(15)2/h3-7,11-12,18H,8-10H2,1-2H3,(H,16,17)
InChIKeyUWVNXDUBYWDTCN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.11
Rot. Bonds5

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide (PubChem CID 107301902) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
PubChem CID107301902
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C15H21NO4/c1-11(20-13-6-4-3-5-7-13)14(17)16-10-15(18)8-9-19-12(15)2/h3-7,11-12,18H,8-10H2,1-2H3,(H,16,17)
InChIKeyUWVNXDUBYWDTCN-UHFFFAOYSA-N
XLogP1.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide
CID 71803556
(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide
CID 99820281
N-ethyl-2-phenoxypropanamide
CID 4282518
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
CID 62527498
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
CID 106101679
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide
CID 55470138
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide (CID 107301902) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC1(O)CCOC1C.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide?
The InChIKey is UWVNXDUBYWDTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(20-13-6-4-3-5-7-13)14(17)16-10-15(18)8-9-19-12(15)2/h3-7,11-12,18H,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide has a molecular weight of 279.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 107301902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).