N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen

C14H29N3O2 — CID 170569292

IUPACN-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen
SMILESCCNC(=O)CN1C2CC[C@@H]1CN(CCCOC)C2.[H][H]
InChIInChI=1S/C14H27N3O2.H2/c1-3-15-14(18)11-17-12-5-6-13(17)10-16(9-12)7-4-8-19-2;/h12-13H,3-11H2,1-2H3,(H,15,18);1H/t12-,13?;/m1./s1
InChIKeyBPPUFJRTAHRQPV-QPWPOBFOSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds7

About N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen

N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen (PubChem CID 170569292) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen
PubChem CID170569292
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen
SMILESCCNC(=O)CN1C2CC[C@@H]1CN(CCCOC)C2.[H][H]
InChIInChI=1S/C14H27N3O2.H2/c1-3-15-14(18)11-17-12-5-6-13(17)10-16(9-12)7-4-8-19-2;/h12-13H,3-11H2,1-2H3,(H,15,18);1H/t12-,13?;/m1./s1
InChIKeyBPPUFJRTAHRQPV-QPWPOBFOSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen?
The IUPAC name of N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen (CID 170569292) is N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen is CCNC(=O)CN1C2CC[C@@H]1CN(CCCOC)C2.[H][H].
What is the InChIKey of N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen?
The InChIKey is BPPUFJRTAHRQPV-QPWPOBFOSA-N. The full InChI is InChI=1S/C14H27N3O2.H2/c1-3-15-14(18)11-17-12-5-6-13(17)10-16(9-12)7-4-8-19-2;/h12-13H,3-11H2,1-2H3,(H,15,18);1H/t12-,13?;/m1./s1.
What are the key properties of N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen?
N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen has a molecular weight of 271.40 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 170569292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).