2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide

C20H22N4O3 — CID 39352511

IUPAC2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide
SMILESNC(=O)Cn1cnc2c(oc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O
InChIInChI=1S/C20H22N4O3/c21-14(25)9-24-10-22-17-15-12-7-4-8-13(12)16(11-5-2-1-3-6-11)23-19(15)27-18(17)20(24)26/h10-11H,1-9H2,(H2,21,25)
InChIKeyLUMZYXRQOZIVKR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.56
Rot. Bonds3

About 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide

2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide (PubChem CID 39352511) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide.

Molecular Properties

Compound Name2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide
PubChem CID39352511
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide
SMILESNC(=O)Cn1cnc2c(oc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O
InChIInChI=1S/C20H22N4O3/c21-14(25)9-24-10-22-17-15-12-7-4-8-13(12)16(11-5-2-1-3-6-11)23-19(15)27-18(17)20(24)26/h10-11H,1-9H2,(H2,21,25)
InChIKeyLUMZYXRQOZIVKR-UHFFFAOYSA-N
XLogP2.56
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide with MolForge

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Related Compounds

14-(2-aminoprop-2-enyl)-8-ethyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
CID 167563073
methyl 2-(7-cyclohexyl-12-oxo-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetate
CID 39045520
7-(2-methylpropyl)-13-phenacyl-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-12-one
CID 42537060
2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39333324
14-[(2-chlorophenyl)methyl]-8-methyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one
CID 42537039
5-[2-(4-chlorophenyl)-2-oxoethyl]-11,13-dimethyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 39335710
11-(2-amino-2-oxoethyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carboxylic acid
CID 82025554
3-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 55507558
ethyl 11-(2-amino-2-oxoethyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carboxylate
CID 25021137
N-cyclooctyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 18195211
N-(cyclohexylmethyl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 7629983
2-(3-cyclohexyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetamide
CID 82590569

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide?
The IUPAC name of 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide (CID 39352511) is 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide.
What is the SMILES notation for 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide?
The canonical SMILES for 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide is NC(=O)Cn1cnc2c(oc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O.
What is the InChIKey of 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide?
The InChIKey is LUMZYXRQOZIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-14(25)9-24-10-22-17-15-12-7-4-8-13(12)16(11-5-2-1-3-6-11)23-19(15)27-18(17)20(24)26/h10-11H,1-9H2,(H2,21,25).
What are the key properties of 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide?
2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclohexyl-12-oxo-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-13-yl)acetamide is sourced from PubChem (CID 39352511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).