(16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one

C34H37N3O3 — CID 167283055

IUPAC(16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one
SMILESCC1CCCCc2ccccc2C(c2ccccc2)N2CN1C(=O)/C1=C(\OCc3ccccc3)COC/C=C\N12
InChIInChI=1S/C34H37N3O3/c1-26-13-8-9-16-28-17-10-11-20-30(28)32(29-18-6-3-7-19-29)37-25-35(26)34(38)33-31(24-39-22-12-21-36(33)37)40-23-27-14-4-2-5-15-27/h2-7,10-12,14-15,17-21,26,32H,8-9,13,16,22-25H2,1H3/b21-12-,33-31+
InChIKeyNFGNCBCTUNALBP-PKECIGGVSA-N
MW535.69 g/mol
LogP6.18
Rot. Bonds4

About (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one

(16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one (PubChem CID 167283055) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one.

Molecular Properties

Compound Name(16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one
PubChem CID167283055
Molecular FormulaC34H37N3O3
Molecular Weight535.69 g/mol
Exact Mass535.28
IUPAC Name(16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one
SMILESCC1CCCCc2ccccc2C(c2ccccc2)N2CN1C(=O)/C1=C(\OCc3ccccc3)COC/C=C\N12
InChIInChI=1S/C34H37N3O3/c1-26-13-8-9-16-28-17-10-11-20-30(28)32(29-18-6-3-7-19-29)37-25-35(26)34(38)33-31(24-39-22-12-21-36(33)37)40-23-27-14-4-2-5-15-27/h2-7,10-12,14-15,17-21,26,32H,8-9,13,16,22-25H2,1H3/b21-12-,33-31+
InChIKeyNFGNCBCTUNALBP-PKECIGGVSA-N
XLogP6.18
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one 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

(2R)-7-fluoro-20-hydroxy-2-phenyl-19-phenylmethoxy-9-oxa-1,16,23-triazatetracyclo[14.7.1.03,8.018,23]tetracosa-3(8),4,6,18,21-pentaen-17-one
CID 167028232
(11E)-18,19-dihydroxy-2-phenyl-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,11,17,20-hexaen-16-one
CID 167028139
(4aE,9Z)-5-hydroxy-1-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-2H-[1,2,4]triazino[6,1-d][1,5]oxazocin-4-one
CID 139402492
3-methyl-1-phenylmethoxycyclopentadecene
CID 68819057
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl 1-(furan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166559307
(2S)-17-hydroxy-2-phenyl-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3,5,7,16,19-pentaene-15,18-dione
CID 167028056
(2R,11E)-2-phenyl-18-phenylmethoxy-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3,5,7,11,17,20-hexaene-16,19-dione
CID 164741366
(11Z)-7-chloro-2-phenyl-17-phenylmethoxy-9-oxa-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione
CID 148855112
7-fluoro-2-phenyl-18-phenylmethoxy-9-oxa-1,15,22-triazatetracyclo[13.7.1.03,8.017,22]tricosa-3(8),4,6,11,17,20-hexaene-16,19-dione
CID 164741417
1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one
CID 177164803
(4R)-18-hydroxy-4-methyl-16-phenylmethoxy-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
CID 134918957

Frequently Asked Questions

What is the IUPAC name of (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one?
The IUPAC name of (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one (CID 167283055) is (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one.
What is the SMILES notation for (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one?
The canonical SMILES for (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one is CC1CCCCc2ccccc2C(c2ccccc2)N2CN1C(=O)/C1=C(\OCc3ccccc3)COC/C=C\N12.
What is the InChIKey of (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one?
The InChIKey is NFGNCBCTUNALBP-PKECIGGVSA-N. The full InChI is InChI=1S/C34H37N3O3/c1-26-13-8-9-16-28-17-10-11-20-30(28)32(29-18-6-3-7-19-29)37-25-35(26)34(38)33-31(24-39-22-12-21-36(33)37)40-23-27-14-4-2-5-15-27/h2-7,10-12,14-15,17-21,26,32H,8-9,13,16,22-25H2,1H3/b21-12-,33-31+.
What are the key properties of (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one?
(16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one has a molecular weight of 535.69 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (16E,21Z)-13-methyl-2-phenyl-17-phenylmethoxy-19-oxa-1,14,23-triazatetracyclo[12.9.1.03,8.016,23]tetracosa-3,5,7,16,21-pentaen-15-one is sourced from PubChem (CID 167283055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).