(13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide

C26H29N5O2 — CID 25160735

IUPAC(13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide
SMILESCc1cnc2nc1-c1cccc(c1)COC/C=C\c1cc(cc(C(=O)NCCN(C)C)c1)N2
InChIInChI=1S/C26H29N5O2/c1-18-16-28-26-29-23-14-19(12-22(15-23)25(32)27-9-10-31(2)3)7-5-11-33-17-20-6-4-8-21(13-20)24(18)30-26/h4-8,12-16H,9-11,17H2,1-3H3,(H,27,32)(H,28,29,30)/b7-5-
InChIKeyMRSLHJHVIZJLBH-ALCCZGGFSA-N
MW443.55 g/mol
LogP4.03
Rot. Bonds4

About (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide

(13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide (PubChem CID 25160735) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide.

Molecular Properties

Compound Name(13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide
PubChem CID25160735
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name(13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide
SMILESCc1cnc2nc1-c1cccc(c1)COC/C=C\c1cc(cc(C(=O)NCCN(C)C)c1)N2
InChIInChI=1S/C26H29N5O2/c1-18-16-28-26-29-23-14-19(12-22(15-23)25(32)27-9-10-31(2)3)7-5-11-33-17-20-6-4-8-21(13-20)24(18)30-26/h4-8,12-16H,9-11,17H2,1-3H3,(H,27,32)(H,28,29,30)/b7-5-
InChIKeyMRSLHJHVIZJLBH-ALCCZGGFSA-N
XLogP4.03
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide with MolForge

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Related Compounds

(14Z)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,14,18(22),19-decaene-10-carboxamide
CID 25160607
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N-[2-(dimethylamino)ethyl]-3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzamide
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3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805509
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6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
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N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
CID 144980314
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CID 110067651
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CID 50945849
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide?
The IUPAC name of (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide (CID 25160735) is (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide.
What is the SMILES notation for (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide?
The canonical SMILES for (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide is Cc1cnc2nc1-c1cccc(c1)COC/C=C\c1cc(cc(C(=O)NCCN(C)C)c1)N2.
What is the InChIKey of (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide?
The InChIKey is MRSLHJHVIZJLBH-ALCCZGGFSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18-16-28-26-29-23-14-19(12-22(15-23)25(32)27-9-10-31(2)3)7-5-11-33-17-20-6-4-8-21(13-20)24(18)30-26/h4-8,12-16H,9-11,17H2,1-3H3,(H,27,32)(H,28,29,30)/b7-5-.
What are the key properties of (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide?
(13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13E)-N-[2-(dimethylamino)ethyl]-3-methyl-16-oxa-5,7,24-triazatetracyclo[16.3.1.12,6.18,12]tetracosa-1(21),2(24),3,5,8(23),9,11,13,18(22),19-decaene-10-carboxamide is sourced from PubChem (CID 25160735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).