ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate

C19H27NO4 — CID 21025715

IUPACethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)CC(=O)C1CCOCN1
InChIInChI=1S/C19H27NO4/c1-2-24-19(22)16(10-6-9-15-7-4-3-5-8-15)13-18(21)17-11-12-23-14-20-17/h3-5,7-8,16-17,20H,2,6,9-14H2,1H3
InChIKeyCWKAAANNLPBDCB-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.48
Rot. Bonds9

About ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate

ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate (PubChem CID 21025715) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate
PubChem CID21025715
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)CC(=O)C1CCOCN1
InChIInChI=1S/C19H27NO4/c1-2-24-19(22)16(10-6-9-15-7-4-3-5-8-15)13-18(21)17-11-12-23-14-20-17/h3-5,7-8,16-17,20H,2,6,9-14H2,1H3
InChIKeyCWKAAANNLPBDCB-UHFFFAOYSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-Phenyl-piperidine-3-carboxylic acid ethyl ester
CID 44462334
Ethyl 4-phenylpiperidine-3-carboxylate
CID 22238078
(3R,4R)-ethyl 4-phenylpiperidine-3-carboxylate
CID 44462333
Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-
CID 42149
5-Amino-(N-t-butoxycarbonyl)-2-benzyl-4-oxo-6-phenylhexanoic acid
CID 194943
(2r,5s)-Methyl 5-(t-butoxycarbonylamino)-2-(4-fluoro-benzyl)-6-methyl-4-oxoheptanoate
CID 60144080
(2R,5S)-2-[(4-Fluorophenyl)methyl]-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoheptanoic acid
CID 121230866
Methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 67514118
Ethyl 4-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentanoate
CID 69851867
Ethyl 6-(3-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoate
CID 69901246
ethyl 2-ethyl-4-oxo-4-[(4R)-4-(2,3,6-trifluorophenyl)pyrrolidin-2-yl]butanoate
CID 164929613
methyl (2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-(methylamino)-4-oxoheptanoate
CID 169232022

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate?
The IUPAC name of ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate (CID 21025715) is ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate.
What is the SMILES notation for ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate?
The canonical SMILES for ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate is CCOC(=O)C(CCCc1ccccc1)CC(=O)C1CCOCN1.
What is the InChIKey of ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate?
The InChIKey is CWKAAANNLPBDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-2-24-19(22)16(10-6-9-15-7-4-3-5-8-15)13-18(21)17-11-12-23-14-20-17/h3-5,7-8,16-17,20H,2,6,9-14H2,1H3.
What are the key properties of ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate?
ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate has a molecular weight of 333.43 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,3-oxazinan-4-yl)-2-oxoethyl]-5-phenylpentanoate is sourced from PubChem (CID 21025715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).