N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide

C20H20N2O2 — CID 7526319

IUPACN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C20H20N2O2/c23-18(8-6-14-4-2-1-3-5-14)21-17-12-15-7-9-19(24)22-11-10-16(13-17)20(15)22/h1-5,12-13H,6-11H2,(H,21,23)
InChIKeyUCZHEBCSCXAPLT-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.09
Rot. Bonds4

About N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide

N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide (PubChem CID 7526319) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide
PubChem CID7526319
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C20H20N2O2/c23-18(8-6-14-4-2-1-3-5-14)21-17-12-15-7-9-19(24)22-11-10-16(13-17)20(15)22/h1-5,12-13H,6-11H2,(H,21,23)
InChIKeyUCZHEBCSCXAPLT-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentanamide
CID 7526325
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)furan-2-carboxamide
CID 7526326
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide
CID 7526270
4-bromo-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526321
N-(2-methoxyphenyl)-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 16823158
N-(2,3-dimethylphenyl)-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 18577975
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentanamide
CID 7526529

Frequently Asked Questions

What is the IUPAC name of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide?
The IUPAC name of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide (CID 7526319) is N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide?
The canonical SMILES for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide?
The InChIKey is UCZHEBCSCXAPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18(8-6-14-4-2-1-3-5-14)21-17-12-15-7-9-19(24)22-11-10-16(13-17)20(15)22/h1-5,12-13H,6-11H2,(H,21,23).
What are the key properties of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide?
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide has a molecular weight of 320.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-phenylpropanamide is sourced from PubChem (CID 7526319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).