(2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide

C20H27N3O3 — CID 134804801

IUPAC(2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1
InChIInChI=1S/C20H27N3O3/c1-2-26-17-8-6-16(7-9-17)21-20(25)22-11-14-10-15(13-22)18-4-3-5-19(24)23(18)12-14/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,21,25)/t14?,15?,18-/m1/s1
InChIKeyUIVFXHVLHPDZQA-JTTJXQCZSA-N
MW357.45 g/mol
LogP2.95
Rot. Bonds3

About (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide

(2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide (PubChem CID 134804801) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
PubChem CID134804801
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1
InChIInChI=1S/C20H27N3O3/c1-2-26-17-8-6-16(7-9-17)21-20(25)22-11-14-10-15(13-22)18-4-3-5-19(24)23(18)12-14/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,21,25)/t14?,15?,18-/m1/s1
InChIKeyUIVFXHVLHPDZQA-JTTJXQCZSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide with MolForge

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Related Compounds

(2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 134804446
N-(4-methoxyphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195212
N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 134804410
(2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 134804470
(1R,2R,9S)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 110195019
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584
(2R)-11-[4-[2-(4-fluorophenoxy)acetyl]piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171153798
(1R,2R,9R)-11-(3,3-dimethylbutanoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194972
N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195247
(1S,2R,9R)-11-[2-(5-methoxyindol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 125427753
N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
CID 134804209
11-(5-methylthiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 156610598

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide (CID 134804801) is (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide is CCOc1ccc(NC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
The InChIKey is UIVFXHVLHPDZQA-JTTJXQCZSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-26-17-8-6-16(7-9-17)21-20(25)22-11-14-10-15(13-22)18-4-3-5-19(24)23(18)12-14/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,21,25)/t14?,15?,18-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
(2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide is sourced from PubChem (CID 134804801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).