N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide

C26H34N4O4 — CID 140666819

IUPACN-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide
SMILESCC1COc2cccc(c2)-c2cccc(c2)C(=O)N(C)C(C(=O)NCCN(C)C)CCC(=O)N1
InChIInChI=1S/C26H34N4O4/c1-18-17-34-22-10-6-8-20(16-22)19-7-5-9-21(15-19)26(33)30(4)23(11-12-24(31)28-18)25(32)27-13-14-29(2)3/h5-10,15-16,18,23H,11-14,17H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyQIVFFXGLAUUNON-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide

N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide (PubChem CID 140666819) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide
PubChem CID140666819
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide
SMILESCC1COc2cccc(c2)-c2cccc(c2)C(=O)N(C)C(C(=O)NCCN(C)C)CCC(=O)N1
InChIInChI=1S/C26H34N4O4/c1-18-17-34-22-10-6-8-20(16-22)19-7-5-9-21(15-19)26(33)30(4)23(11-12-24(31)28-18)25(32)27-13-14-29(2)3/h5-10,15-16,18,23H,11-14,17H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyQIVFFXGLAUUNON-UHFFFAOYSA-N
XLogP2.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide
CID 78166662
2-[[(9S,14S)-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carbonyl]amino]acetic acid
CID 71744487
benzyl (10R,15S)-4-methoxy-10,16-dimethyl-12,17-dioxo-8-oxa-11,16-diazatricyclo[16.3.1.02,7]docosa-1(22),2(7),3,5,18,20-hexaene-15-carboxylate
CID 140666851
N-[3-(dimethylamino)propyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687240
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
(9S,19R,22S)-16,19,20,22,23-pentamethyl-7-oxa-13,16,20,23,27-pentazatetracyclo[23.3.1.12,6.09,13]triaconta-1(29),2(30),3,5,25,27-hexaene-14,17,21,24-tetrone
CID 71744626
N-[2-(dimethylamino)ethyl]-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-13-carboxamide
CID 71542012
N-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110702966
(4S,7R,12S)-N-[3-(dimethylamino)propyl]-6,9,14-trioxo-4,7-di(propan-2-yl)-2-oxa-5,8,13-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-12-carboxamide
CID 133075225
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide (CID 140666819) is N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide is CC1COc2cccc(c2)-c2cccc(c2)C(=O)N(C)C(C(=O)NCCN(C)C)CCC(=O)N1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide?
The InChIKey is QIVFFXGLAUUNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-18-17-34-22-10-6-8-20(16-22)19-7-5-9-21(15-19)26(33)30(4)23(11-12-24(31)28-18)25(32)27-13-14-29(2)3/h5-10,15-16,18,23H,11-14,17H2,1-4H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide?
N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9,15-dimethyl-11,16-dioxo-7-oxa-10,15-diazatricyclo[15.3.1.12,6]docosa-1(21),2(22),3,5,17,19-hexaene-14-carboxamide is sourced from PubChem (CID 140666819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).