8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one

C18H24N2O3 — CID 110201629

IUPAC8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCN(C(=O)C2(c3ccccc3)CC2)CCCOCCN1
InChIInChI=1S/C18H24N2O3/c21-16-7-12-20(11-4-13-23-14-10-19-16)17(22)18(8-9-18)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,19,21)
InChIKeySJLVHAZYZLQJKJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.47
Rot. Bonds2

About 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one

8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one (PubChem CID 110201629) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one.

Molecular Properties

Compound Name8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one
PubChem CID110201629
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCN(C(=O)C2(c3ccccc3)CC2)CCCOCCN1
InChIInChI=1S/C18H24N2O3/c21-16-7-12-20(11-4-13-23-14-10-19-16)17(22)18(8-9-18)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,19,21)
InChIKeySJLVHAZYZLQJKJ-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 889499
2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6466545
N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 885902
N-{2-[2-(diethylamino)ethoxy]ethyl}-1-phenylcyclopentane-1-carboxamide
CID 15105207
2-(aminomethyl)-N-ethyl-1-phenyl-N-propylcyclopropane-1-carboxamide
CID 44454528
Ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate
CID 3728810
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6470809
N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide
CID 649839
Ethyl 2-(1-phenylcyclopentanecarboxamido)acetate
CID 662639
N-[2-(Morpholin-4-YL)ethyl]-2,2-diphenylpropanamide hydrochloride
CID 2948165
N,N-diethyl-2-(ethylaminomethyl)-1-phenylcyclopropane-1-carboxamide
CID 44454493

Frequently Asked Questions

What is the IUPAC name of 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
The IUPAC name of 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one (CID 110201629) is 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one.
What is the SMILES notation for 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
The canonical SMILES for 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one is O=C1CCN(C(=O)C2(c3ccccc3)CC2)CCCOCCN1.
What is the InChIKey of 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
The InChIKey is SJLVHAZYZLQJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16-7-12-20(11-4-13-23-14-10-19-16)17(22)18(8-9-18)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,19,21).
What are the key properties of 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one has a molecular weight of 316.40 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenylcyclopropanecarbonyl)-1-oxa-4,8-diazacycloundecan-5-one is sourced from PubChem (CID 110201629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).