N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide

C17H26N4O3 — CID 167836716

IUPACN-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
SMILESCN(C)CC(CCO)NC(=O)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C17H26N4O3/c1-19(2)12-13(6-10-22)18-17(23)21-8-7-20-9-11-24-15-5-3-4-14(21)16(15)20/h3-5,13,22H,6-12H2,1-2H3,(H,18,23)
InChIKeySYAOKZNVRPGCMJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.73
Rot. Bonds5

About N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide

N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide (PubChem CID 167836716) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
PubChem CID167836716
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
SMILESCN(C)CC(CCO)NC(=O)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C17H26N4O3/c1-19(2)12-13(6-10-22)18-17(23)21-8-7-20-9-11-24-15-5-3-4-14(21)16(15)20/h3-5,13,22H,6-12H2,1-2H3,(H,18,23)
InChIKeySYAOKZNVRPGCMJ-UHFFFAOYSA-N
XLogP0.73
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide (CID 167836716) is N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide is CN(C)CC(CCO)NC(=O)N1CCN2CCOc3cccc1c32.
What is the InChIKey of N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide?
The InChIKey is SYAOKZNVRPGCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19(2)12-13(6-10-22)18-17(23)21-8-7-20-9-11-24-15-5-3-4-14(21)16(15)20/h3-5,13,22H,6-12H2,1-2H3,(H,18,23).
What are the key properties of N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide?
N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide is sourced from PubChem (CID 167836716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).