3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide

C22H24N2O3 — CID 7526635

IUPAC3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1
InChIInChI=1S/C22H24N2O3/c1-14-19-13-17(12-16-4-3-11-24(21(16)19)22(14)26)23-20(25)10-7-15-5-8-18(27-2)9-6-15/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyQGGBODVXLHGXHZ-AWEZNQCLSA-N
MW364.45 g/mol
LogP3.66
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide

3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide (PubChem CID 7526635) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide
PubChem CID7526635
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1
InChIInChI=1S/C22H24N2O3/c1-14-19-13-17(12-16-4-3-11-24(21(16)19)22(14)26)23-20(25)10-7-15-5-8-18(27-2)9-6-15/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyQGGBODVXLHGXHZ-AWEZNQCLSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
CID 51468128
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526566
3-(4-methoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27604553
N-[2-(1H-indol-3-yl)ethyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
CID 51468139
(3R)-N-[(3-methoxyphenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7526842
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
3-(4-methoxyphenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 16929997
2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
CID 16823215
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide (CID 7526635) is 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide is COc1ccc(CCC(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide?
The InChIKey is QGGBODVXLHGXHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-19-13-17(12-16-4-3-11-24(21(16)19)22(14)26)23-20(25)10-7-15-5-8-18(27-2)9-6-15/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide?
3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide is sourced from PubChem (CID 7526635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).