11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid

C25H26N4O8 — CID 169127226

IUPAC11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid
SMILESCOc1ccccc1CNC(=O)C1(C)COc2c(oc3cc(C(=O)O)cnc23)C(=O)N1CC(=O)N(C)C
InChIInChI=1S/C25H26N4O8/c1-25(24(34)27-10-14-7-5-6-8-16(14)35-4)13-36-20-19-17(9-15(11-26-19)23(32)33)37-21(20)22(31)29(25)12-18(30)28(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,27,34)(H,32,33)
InChIKeyZKODCCSWSUDHTB-UHFFFAOYSA-N
MW510.50 g/mol
LogP1.53
Rot. Bonds7

About 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid

11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid (PubChem CID 169127226) has the molecular formula C25H26N4O8 and a molecular weight of 510.50 g/mol. Its IUPAC name is 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid.

Molecular Properties

Compound Name11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid
PubChem CID169127226
Molecular FormulaC25H26N4O8
Molecular Weight510.50 g/mol
Exact Mass510.18
IUPAC Name11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid
SMILESCOc1ccccc1CNC(=O)C1(C)COc2c(oc3cc(C(=O)O)cnc23)C(=O)N1CC(=O)N(C)C
InChIInChI=1S/C25H26N4O8/c1-25(24(34)27-10-14-7-5-6-8-16(14)35-4)13-36-20-19-17(9-15(11-26-19)23(32)33)37-21(20)22(31)29(25)12-18(30)28(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,27,34)(H,32,33)
InChIKeyZKODCCSWSUDHTB-UHFFFAOYSA-N
XLogP1.53
TPSA151.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid with MolForge

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Related Compounds

2-[9-chloro-3-[(2-methoxyphenyl)methylcarbamoyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepin-4-yl]acetic acid
CID 169127367
(3S)-4-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 92891579
(3R)-8-bromo-4-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 169127286
8-(4-cyano-1,3-oxazol-2-yl)-4-[2-(dimethylamino)-2-oxoethyl]-N-[(3-methoxy-2-pyridinyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 169127433
hydrogen peroxide;N-[(2-hydroxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide;vanadium
CID 169127441
N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 169127241
(3S)-3-N-[(2-fluoro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-8-N-(3-methyloxetan-3-yl)-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3,8-dicarboxamide
CID 169127198
[(1S)-1-phenylethyl]carbamoyl (3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-methyl-8-(1,3-oxazol-2-yl)-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxylate
CID 177095888
N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 169127268
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
(6R)-N-benzyl-2-tert-butyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740959
(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740147

Frequently Asked Questions

What is the IUPAC name of 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid?
The IUPAC name of 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid (CID 169127226) is 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid.
What is the SMILES notation for 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid?
The canonical SMILES for 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid is COc1ccccc1CNC(=O)C1(C)COc2c(oc3cc(C(=O)O)cnc23)C(=O)N1CC(=O)N(C)C.
What is the InChIKey of 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid?
The InChIKey is ZKODCCSWSUDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O8/c1-25(24(34)27-10-14-7-5-6-8-16(14)35-4)13-36-20-19-17(9-15(11-26-19)23(32)33)37-21(20)22(31)29(25)12-18(30)28(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,27,34)(H,32,33).
What are the key properties of 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid?
11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid has a molecular weight of 510.50 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid is sourced from PubChem (CID 169127226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).