N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

C20H20N2O3 — CID 110383991

IUPACN-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C20H20N2O3/c1-25-17-5-3-2-4-15(17)12-21-20(24)16-10-13-6-7-18(23)22-9-8-14(11-16)19(13)22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)
InChIKeyLOGCWULGMUBABG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.46
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (PubChem CID 110383991) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
PubChem CID110383991
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C20H20N2O3/c1-25-17-5-3-2-4-15(17)12-21-20(24)16-10-13-6-7-18(23)22-9-8-14(11-16)19(13)22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)
InChIKeyLOGCWULGMUBABG-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384394
N-[2-(2-methoxyphenyl)ethyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384258
N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384380
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CID 82171879
N-[(2-methoxyphenyl)methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299036
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CID 109046451
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CID 18189509
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CID 109047377
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;hydrochloride
CID 139974709
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (CID 110383991) is N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is COc1ccccc1CNC(=O)c1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The InChIKey is LOGCWULGMUBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-17-5-3-2-4-15(17)12-21-20(24)16-10-13-6-7-18(23)22-9-8-14(11-16)19(13)22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is sourced from PubChem (CID 110383991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).