N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

C18H21N3O2 — CID 18847603

IUPACN-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESCOCC(C)NC(=O)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C18H21N3O2/c1-10(9-23-2)19-18(22)13-5-6-14-15(8-13)21-17-12-4-3-11(7-12)16(17)20-14/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,19,22)
InChIKeyHITKGJPHWLPSGC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.76
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (PubChem CID 18847603) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
PubChem CID18847603
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESCOCC(C)NC(=O)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C18H21N3O2/c1-10(9-23-2)19-18(22)13-5-6-14-15(8-13)21-17-12-4-3-11(7-12)16(17)20-14/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,19,22)
InChIKeyHITKGJPHWLPSGC-UHFFFAOYSA-N
XLogP2.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (CID 18847603) is N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is COCC(C)NC(=O)c1ccc2nc3c(nc2c1)C1CCC3C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The InChIKey is HITKGJPHWLPSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-10(9-23-2)19-18(22)13-5-6-14-15(8-13)21-17-12-4-3-11(7-12)16(17)20-14/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,19,22).
What are the key properties of N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is sourced from PubChem (CID 18847603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).