(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine

C23H27N5O — CID 89066188

IUPAC(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine
SMILESCN1C/C=C\CCOc2cccc(c2)C2=NC(=NCC2)Nc2cc(N)cc(c2)C1
InChIInChI=1S/C23H27N5O/c1-28-10-3-2-4-11-29-21-7-5-6-18(14-21)22-8-9-25-23(27-22)26-20-13-17(16-28)12-19(24)15-20/h2-3,5-7,12-15H,4,8-11,16,24H2,1H3,(H,25,26)/b3-2-
InChIKeyCVDSWJMIBVANOU-IHWYPQMZSA-N
MW389.50 g/mol
LogP3.70
Rot. Bonds

About (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine

(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine (PubChem CID 89066188) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine.

Molecular Properties

Compound Name(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine
PubChem CID89066188
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine
SMILESCN1C/C=C\CCOc2cccc(c2)C2=NC(=NCC2)Nc2cc(N)cc(c2)C1
InChIInChI=1S/C23H27N5O/c1-28-10-3-2-4-11-29-21-7-5-6-18(14-21)22-8-9-25-23(27-22)26-20-13-17(16-28)12-19(24)15-20/h2-3,5-7,12-15H,4,8-11,16,24H2,1H3,(H,25,26)/b3-2-
InChIKeyCVDSWJMIBVANOU-IHWYPQMZSA-N
XLogP3.70
TPSA75.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine 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

(16Z)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),5,8,10,12(26),16,21,23-octaene
CID 167993960
(16Z)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;hydrochloride
CID 165412292
(16E)-14-methyl-4-pyrrolidin-1-yl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene
CID 16739811
2-(1-but-2-ynoylpiperidin-4-yl)-N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]acetamide
CID 134166188
1-[4-[2-[[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 122550838
N-[(16E)-14-methyl-20-oxa-3,5,7,14,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide
CID 134166162
N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 122550752
N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-1-prop-2-ynoylazetidine-3-carboxamide
CID 155135970
1-[3-[methyl-[2-[[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]ethyl]amino]piperidin-1-yl]but-2-yn-1-one;1-[3-[methyl-[2-[[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]ethyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 158924000
N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-2-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 122550827
N-[(16E)-3,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(prop-2-enoylamino)benzamide
CID 134166161
(16E)-23-fluoro-3,14-dimethyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739868

Frequently Asked Questions

What is the IUPAC name of (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine?
The IUPAC name of (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine (CID 89066188) is (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine.
What is the SMILES notation for (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine?
The canonical SMILES for (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine is CN1C/C=C\CCOc2cccc(c2)C2=NC(=NCC2)Nc2cc(N)cc(c2)C1.
What is the InChIKey of (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine?
The InChIKey is CVDSWJMIBVANOU-IHWYPQMZSA-N. The full InChI is InChI=1S/C23H27N5O/c1-28-10-3-2-4-11-29-21-7-5-6-18(14-21)22-8-9-25-23(27-22)26-20-13-17(16-28)12-19(24)15-20/h2-3,5-7,12-15H,4,8-11,16,24H2,1H3,(H,25,26)/b3-2-.
What are the key properties of (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine?
(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine has a molecular weight of 389.50 g/mol, XLogP of 3.70, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),5,8(26),9,11,16,21,23-nonaen-10-amine is sourced from PubChem (CID 89066188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).