16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one

C19H31NO4 — CID 163122501

IUPAC16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one
SMILESCOC1CC2CCN(C)C3C(=O)C4CCCC(OC)C4C(C1O)C23
InChIInChI=1S/C19H31NO4/c1-20-8-7-10-9-13(24-3)19(22)16-14(10)17(20)18(21)11-5-4-6-12(23-2)15(11)16/h10-17,19,22H,4-9H2,1-3H3
InChIKeyUNHYJMQNSNIPJM-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.33
Rot. Bonds2

About 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one

16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one (PubChem CID 163122501) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one.

Molecular Properties

Compound Name16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one
PubChem CID163122501
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one
SMILESCOC1CC2CCN(C)C3C(=O)C4CCCC(OC)C4C(C1O)C23
InChIInChI=1S/C19H31NO4/c1-20-8-7-10-9-13(24-3)19(22)16-14(10)17(20)18(21)11-5-4-6-12(23-2)15(11)16/h10-17,19,22H,4-9H2,1-3H3
InChIKeyUNHYJMQNSNIPJM-UHFFFAOYSA-N
XLogP1.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one with MolForge

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Related Compounds

16-hydroxy-3,4,15-trimethoxy-10-methyl-10-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one
CID 163138423
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 175940017
2-cyclohexyl-1-methylpyrrolidin-3-one
CID 83828404
1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone
CID 176999093
(5-acetyloxy-4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-15-yl) acetate
CID 140504074
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 11789412
ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
CID 168995573
(3R,4R,5R,10S,11R,12S,13S,14R)-3,4,11-trihydroxy-13-[(4S,5R,6S)-5-hydroxy-4,6-dimethyloxan-2-yl]-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one
CID 139311403
5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
ethane;2-methoxycyclopentan-1-ol
CID 177178786
1-methoxy-3-methyl-3,3a,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-4-one;1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-ol
CID 157459057

Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one?
The IUPAC name of 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one (CID 163122501) is 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one.
What is the SMILES notation for 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one?
The canonical SMILES for 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one is COC1CC2CCN(C)C3C(=O)C4CCCC(OC)C4C(C1O)C23.
What is the InChIKey of 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one?
The InChIKey is UNHYJMQNSNIPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-20-8-7-10-9-13(24-3)19(22)16-14(10)17(20)18(21)11-5-4-6-12(23-2)15(11)16/h10-17,19,22H,4-9H2,1-3H3.
What are the key properties of 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one?
16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one has a molecular weight of 337.46 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadecan-8-one is sourced from PubChem (CID 163122501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).