(6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one

C24H33NO4 — CID 71012336

IUPAC(6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
SMILESCCN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2C2C(O3)C(=O)CCC21OCC(C)C
InChIInChI=1S/C24H33NO4/c1-4-25(12-15-5-6-15)19-11-16-7-8-17(26)22-20(16)21-23(29-22)18(27)9-10-24(19,21)28-13-14(2)3/h7-8,14-15,19,21,23,26H,4-6,9-13H2,1-3H3/t19-,21?,23?,24?/m1/s1
InChIKeyUNXHPMKXTNTVBR-PPQYLITGSA-N
MW399.53 g/mol
LogP3.67
Rot. Bonds7

About (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one

(6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one (PubChem CID 71012336) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one.

Molecular Properties

Compound Name(6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
PubChem CID71012336
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name(6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
SMILESCCN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2C2C(O3)C(=O)CCC21OCC(C)C
InChIInChI=1S/C24H33NO4/c1-4-25(12-15-5-6-15)19-11-16-7-8-17(26)22-20(16)21-23(29-22)18(27)9-10-24(19,21)28-13-14(2)3/h7-8,14-15,19,21,23,26H,4-6,9-13H2,1-3H3/t19-,21?,23?,24?/m1/s1
InChIKeyUNXHPMKXTNTVBR-PPQYLITGSA-N
XLogP3.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
The IUPAC name of (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one (CID 71012336) is (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one.
What is the SMILES notation for (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
The canonical SMILES for (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one is CCN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2C2C(O3)C(=O)CCC21OCC(C)C.
What is the InChIKey of (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
The InChIKey is UNXHPMKXTNTVBR-PPQYLITGSA-N. The full InChI is InChI=1S/C24H33NO4/c1-4-25(12-15-5-6-15)19-11-16-7-8-17(26)22-20(16)21-23(29-22)18(27)9-10-24(19,21)28-13-14(2)3/h7-8,14-15,19,21,23,26H,4-6,9-13H2,1-3H3/t19-,21?,23?,24?/m1/s1.
What are the key properties of (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one?
(6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one has a molecular weight of 399.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one is sourced from PubChem (CID 71012336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).