2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene

C38H50ClN7O8 — CID 145150041

IUPAC2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene
SMILESCC1NC(=O)C2CCCCN2C(=O)C2CCCN2C(=O)CCOC(=O)C2CCCN2C1=O.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H32N4O6.C9H10ClN3O2.C7H8/c1-14-20(29)26-12-5-8-17(26)22(31)32-13-9-18(27)24-11-4-7-16(24)21(30)25-10-3-2-6-15(25)19(28)23-14;10-6-3-1-2-4-7(6)13-9(15)12-5-8(11)14;1-7-5-3-2-4-6-7/h14-17H,2-13H2,1H3,(H,23,28);1-4H,5H2,(H2,11,14)(H2,12,13,15);2-6H,1H3
InChIKeyADXOOWQVKWUTTC-UHFFFAOYSA-N
MW768.31 g/mol
LogP2.74
Rot. Bonds3

About 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene

2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene (PubChem CID 145150041) has the molecular formula C38H50ClN7O8 and a molecular weight of 768.31 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene.

Molecular Properties

Compound Name2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene
PubChem CID145150041
Molecular FormulaC38H50ClN7O8
Molecular Weight768.31 g/mol
Exact Mass767.34
IUPAC Name2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene
SMILESCC1NC(=O)C2CCCCN2C(=O)C2CCCN2C(=O)CCOC(=O)C2CCCN2C1=O.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H32N4O6.C9H10ClN3O2.C7H8/c1-14-20(29)26-12-5-8-17(26)22(31)32-13-9-18(27)24-11-4-7-16(24)21(30)25-10-3-2-6-15(25)19(28)23-14;10-6-3-1-2-4-7(6)13-9(15)12-5-8(11)14;1-7-5-3-2-4-6-7/h14-17H,2-13H2,1H3,(H,23,28);1-4H,5H2,(H2,11,14)(H2,12,13,15);2-6H,1H3
InChIKeyADXOOWQVKWUTTC-UHFFFAOYSA-N
XLogP2.74
TPSA200.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500768.31
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene?
The IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene (CID 145150041) is 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene.
What is the SMILES notation for 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene?
The canonical SMILES for 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene is CC1NC(=O)C2CCCCN2C(=O)C2CCCN2C(=O)CCOC(=O)C2CCCN2C1=O.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene?
The InChIKey is ADXOOWQVKWUTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O6.C9H10ClN3O2.C7H8/c1-14-20(29)26-12-5-8-17(26)22(31)32-13-9-18(27)24-11-4-7-16(24)21(30)25-10-3-2-6-15(25)19(28)23-14;10-6-3-1-2-4-7(6)13-9(15)12-5-8(11)14;1-7-5-3-2-4-6-7/h14-17H,2-13H2,1H3,(H,23,28);1-4H,5H2,(H2,11,14)(H2,12,13,15);2-6H,1H3.
What are the key properties of 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene?
2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene has a molecular weight of 768.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)carbamoylamino]acetamide;19-methyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone;toluene is sourced from PubChem (CID 145150041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).