N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide

C20H26N2O2 — CID 74986629

IUPACN-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
SMILESCCC12CCN(CC3CC3)C(C(=O)c3ccc(NC=O)cc31)C2C
InChIInChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-14-4-5-14)18(13(20)2)19(24)16-7-6-15(21-12-23)10-17(16)20/h6-7,10,12-14,18H,3-5,8-9,11H2,1-2H3,(H,21,23)
InChIKeyOIISUVOSYUTARN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.22
Rot. Bonds5

About N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide

N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide (PubChem CID 74986629) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide.

Molecular Properties

Compound NameN-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
PubChem CID74986629
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
SMILESCCC12CCN(CC3CC3)C(C(=O)c3ccc(NC=O)cc31)C2C
InChIInChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-14-4-5-14)18(13(20)2)19(24)16-7-6-15(21-12-23)10-17(16)20/h6-7,10,12-14,18H,3-5,8-9,11H2,1-2H3,(H,21,23)
InChIKeyOIISUVOSYUTARN-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
The IUPAC name of N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide (CID 74986629) is N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide.
What is the SMILES notation for N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
The canonical SMILES for N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide is CCC12CCN(CC3CC3)C(C(=O)c3ccc(NC=O)cc31)C2C.
What is the InChIKey of N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
The InChIKey is OIISUVOSYUTARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-14-4-5-14)18(13(20)2)19(24)16-7-6-15(21-12-23)10-17(16)20/h6-7,10,12-14,18H,3-5,8-9,11H2,1-2H3,(H,21,23).
What are the key properties of N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide has a molecular weight of 326.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide is sourced from PubChem (CID 74986629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).