11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

C18H18N4O2 — CID 53210235

IUPAC11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCc1oc2c(c1C(=O)NC(C)c1ccccc1)C1=NCCN1C=N2
InChIInChI=1S/C18H18N4O2/c1-11(13-6-4-3-5-7-13)21-17(23)14-12(2)24-18-15(14)16-19-8-9-22(16)10-20-18/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)
InChIKeyBLMLALDCHCNOGI-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.81
Rot. Bonds3

About 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (PubChem CID 53210235) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

Molecular Properties

Compound Name11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
PubChem CID53210235
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCc1oc2c(c1C(=O)NC(C)c1ccccc1)C1=NCCN1C=N2
InChIInChI=1S/C18H18N4O2/c1-11(13-6-4-3-5-7-13)21-17(23)14-12(2)24-18-15(14)16-19-8-9-22(16)10-20-18/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)
InChIKeyBLMLALDCHCNOGI-UHFFFAOYSA-N
XLogP2.81
TPSA70.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide with MolForge

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Related Compounds

11-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 98129973
3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971
3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 59106006
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide
CID 92896477
5-methyl-2-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide
CID 92896478
6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 11983110
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 91406952
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 66932026

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The IUPAC name of 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (CID 53210235) is 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.
What is the SMILES notation for 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The canonical SMILES for 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is Cc1oc2c(c1C(=O)NC(C)c1ccccc1)C1=NCCN1C=N2.
What is the InChIKey of 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The InChIKey is BLMLALDCHCNOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(13-6-4-3-5-7-13)21-17(23)14-12(2)24-18-15(14)16-19-8-9-22(16)10-20-18/h3-7,10-11H,8-9H2,1-2H3,(H,21,23).
What are the key properties of 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(1-phenylethyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is sourced from PubChem (CID 53210235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).