3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C23H32N2O4 — CID 135117107

IUPAC3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)C3CCOC3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C23H32N2O4/c26-21-9-16-29-23(18-25(21)12-4-7-19-5-2-1-3-6-19)10-13-24(14-11-23)22(27)20-8-15-28-17-20/h1-3,5-6,20H,4,7-18H2
InChIKeyNGFNOTOAEZMKLD-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.27
Rot. Bonds5

About 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 135117107) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID135117107
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)C3CCOC3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C23H32N2O4/c26-21-9-16-29-23(18-25(21)12-4-7-19-5-2-1-3-6-19)10-13-24(14-11-23)22(27)20-8-15-28-17-20/h1-3,5-6,20H,4,7-18H2
InChIKeyNGFNOTOAEZMKLD-UHFFFAOYSA-N
XLogP2.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one with MolForge

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Related Compounds

11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155497544
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185301
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 45190006
2-(2-methoxyethyl)-9-[(3R)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98897249
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502645
5-[(3S)-oxolane-3-carbonyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95190815
2-(cyclopropylmethyl)-8-(oxolane-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155872829
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25456250
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72925497

Frequently Asked Questions

What is the IUPAC name of 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 135117107) is 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is O=C1CCOC2(CCN(C(=O)C3CCOC3)CC2)CN1CCCc1ccccc1.
What is the InChIKey of 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is NGFNOTOAEZMKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c26-21-9-16-29-23(18-25(21)12-4-7-19-5-2-1-3-6-19)10-13-24(14-11-23)22(27)20-8-15-28-17-20/h1-3,5-6,20H,4,7-18H2.
What are the key properties of 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 400.52 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 135117107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).