2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide

C20H22N4O4 — CID 46959160

IUPAC2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCc1cc2c(o1)c1cnn(CC(=O)NC(C)CCc3ccco3)c(=O)c1n2C
InChIInChI=1S/C20H22N4O4/c1-12(6-7-14-5-4-8-27-14)22-17(25)11-24-20(26)18-15(10-21-24)19-16(23(18)3)9-13(2)28-19/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyGGLUCUNGRCQYHX-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.52
Rot. Bonds6

About 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide

2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (PubChem CID 46959160) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
PubChem CID46959160
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCc1cc2c(o1)c1cnn(CC(=O)NC(C)CCc3ccco3)c(=O)c1n2C
InChIInChI=1S/C20H22N4O4/c1-12(6-7-14-5-4-8-27-14)22-17(25)11-24-20(26)18-15(10-21-24)19-16(23(18)3)9-13(2)28-19/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyGGLUCUNGRCQYHX-UHFFFAOYSA-N
XLogP2.52
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide with MolForge

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Related Compounds

2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485713
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
CID 20891863
2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 16670896
N-(1H-benzimidazol-2-ylmethyl)-2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)acetamide
CID 95798015
N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 47010073
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
2-(4-methyl-9-oxo-7-prop-2-enyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 95798058
2-(4-methyl-9-oxo-7-propan-2-yl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 16671027
1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 28848692
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide (CID 46959160) is 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is Cc1cc2c(o1)c1cnn(CC(=O)NC(C)CCc3ccco3)c(=O)c1n2C.
What is the InChIKey of 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The InChIKey is GGLUCUNGRCQYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(6-7-14-5-4-8-27-14)22-17(25)11-24-20(26)18-15(10-21-24)19-16(23(18)3)9-13(2)28-19/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 46959160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).