(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine

C24H36N2O2 — CID 126497229

IUPAC(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine
SMILESCC[C@]12OCC(N(C)C)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1ccc(OC)cc13
InChIInChI=1S/C24H36N2O2/c1-5-24-22-12-18-8-9-20(27-4)13-21(18)23(24,14-19(16-28-24)25(2)3)10-11-26(22)15-17-6-7-17/h8-9,13,17,19,22H,5-7,10-12,14-16H2,1-4H3/t19?,22-,23-,24-/m1/s1
InChIKeyMCEWENUIVGDERF-RDJJLVMJSA-N
MW384.56 g/mol
LogP3.47
Rot. Bonds5

About (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine

(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine (PubChem CID 126497229) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine.

Molecular Properties

Compound Name(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine
PubChem CID126497229
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine
SMILESCC[C@]12OCC(N(C)C)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1ccc(OC)cc13
InChIInChI=1S/C24H36N2O2/c1-5-24-22-12-18-8-9-20(27-4)13-21(18)23(24,14-19(16-28-24)25(2)3)10-11-26(22)15-17-6-7-17/h8-9,13,17,19,22H,5-7,10-12,14-16H2,1-4H3/t19?,22-,23-,24-/m1/s1
InChIKeyMCEWENUIVGDERF-RDJJLVMJSA-N
XLogP3.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine with MolForge

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Related Compounds

(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-13-pyrrolidin-1-yl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 126497274
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol
CID 118203341
(1S,9R,10S,12R)-17-(cyclopropylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,12-diol
CID 118203317
12-amino-16-(cyclopropylmethyl)-4-methoxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-trien-10-ol
CID 123299823
(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-12-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 172680648
(9S,10R)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 129061337
(3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene
CID 144696246
(9R,10S,12R)-16-(cyclopropylmethyl)-10-hydroxy-4-methoxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carbonyl chloride
CID 129159258
(1S,9R,10S)-18-(cyclopropylmethyl)-4-methoxy-13-[2-(triazol-2-yl)ethyl]-13,18-diazatetracyclo[7.6.3.01,10.02,7]octadeca-2(7),3,5-trien-10-ol
CID 172850563
(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-12-carbaldehyde
CID 90231113
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-1'-ethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,4'-imidazolidine]-2'-one
CID 118249483
[17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-yl] acetate
CID 123593405

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine?
The IUPAC name of (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine (CID 126497229) is (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine.
What is the SMILES notation for (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine?
The canonical SMILES for (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine is CC[C@]12OCC(N(C)C)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1ccc(OC)cc13.
What is the InChIKey of (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine?
The InChIKey is MCEWENUIVGDERF-RDJJLVMJSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-5-24-22-12-18-8-9-20(27-4)13-21(18)23(24,14-19(16-28-24)25(2)3)10-11-26(22)15-17-6-7-17/h8-9,13,17,19,22H,5-7,10-12,14-16H2,1-4H3/t19?,22-,23-,24-/m1/s1.
What are the key properties of (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine?
(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine has a molecular weight of 384.56 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine is sourced from PubChem (CID 126497229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).