methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone

C30H42N2O3 — CID 145393586

IUPACmethane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone
SMILESC.CC(=O)N1CCc2c([nH]c3ccccc23)C(OCc2ccccc2)CC2CCCCC2C1.CO
InChIInChI=1S/C28H34N2O2.CH4O.CH4/c1-20(31)30-16-15-25-24-13-7-8-14-26(24)29-28(25)27(32-19-21-9-3-2-4-10-21)17-22-11-5-6-12-23(22)18-30;1-2;/h2-4,7-10,13-14,22-23,27,29H,5-6,11-12,15-19H2,1H3;2H,1H3;1H4
InChIKeyOJZPOJCGMBDFNW-UHFFFAOYSA-N
MW478.68 g/mol
LogP6.27
Rot. Bonds3

About methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone

methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone (PubChem CID 145393586) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone.

Molecular Properties

Compound Namemethane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone
PubChem CID145393586
Molecular FormulaC30H42N2O3
Molecular Weight478.68 g/mol
Exact Mass478.32
IUPAC Namemethane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone
SMILESC.CC(=O)N1CCc2c([nH]c3ccccc23)C(OCc2ccccc2)CC2CCCCC2C1.CO
InChIInChI=1S/C28H34N2O2.CH4O.CH4/c1-20(31)30-16-15-25-24-13-7-8-14-26(24)29-28(25)27(32-19-21-9-3-2-4-10-21)17-22-11-5-6-12-23(22)18-30;1-2;/h2-4,7-10,13-14,22-23,27,29H,5-6,11-12,15-19H2,1H3;2H,1H3;1H4
InChIKeyOJZPOJCGMBDFNW-UHFFFAOYSA-N
XLogP6.27
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl acetate;2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraene-11-carbonitrile
CID 145393601
methyl (2S,4S,5R,6S,9R)-6-hydroxy-11-isocyano-2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraene-5-carboxylate
CID 153423709
methyl 4-(1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-oxobutanoate
CID 110666295
1-[4-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]piperazin-1-yl]ethanone
CID 29258867
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
1-(1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridin-4-ylpropan-1-one
CID 45191530
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
tert-butyl (2S,4R)-4-phenylmethoxy-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxylate
CID 18654361
benzyl 2-acetyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-5-carboxylate
CID 118883102
benzyl 7-(1-ethyl-2,9-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-6-yl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-3-carboxylate
CID 19789764
benzyl 2-hydroxy-5-(2-oxido-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)benzoate
CID 141404371
methyl (15R,19S,20S)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 70820300

Frequently Asked Questions

What is the IUPAC name of methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone?
The IUPAC name of methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone (CID 145393586) is methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone.
What is the SMILES notation for methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone?
The canonical SMILES for methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone is C.CC(=O)N1CCc2c([nH]c3ccccc23)C(OCc2ccccc2)CC2CCCCC2C1.CO.
What is the InChIKey of methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone?
The InChIKey is OJZPOJCGMBDFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2.CH4O.CH4/c1-20(31)30-16-15-25-24-13-7-8-14-26(24)29-28(25)27(32-19-21-9-3-2-4-10-21)17-22-11-5-6-12-23(22)18-30;1-2;/h2-4,7-10,13-14,22-23,27,29H,5-6,11-12,15-19H2,1H3;2H,1H3;1H4.
What are the key properties of methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone?
methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone has a molecular weight of 478.68 g/mol, XLogP of 6.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;1-(2-phenylmethoxy-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraen-11-yl)ethanone is sourced from PubChem (CID 145393586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).