5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide

C14H27N3O2 — CID 110201437

IUPAC5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide
SMILESCCCNC(=O)N1CCCCCCN(C)C(=O)CC1
InChIInChI=1S/C14H27N3O2/c1-3-9-15-14(19)17-11-7-5-4-6-10-16(2)13(18)8-12-17/h3-12H2,1-2H3,(H,15,19)
InChIKeyBQFQEFHEBSYQED-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.83
Rot. Bonds2

About 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide

5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide (PubChem CID 110201437) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide
PubChem CID110201437
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide
SMILESCCCNC(=O)N1CCCCCCN(C)C(=O)CC1
InChIInChI=1S/C14H27N3O2/c1-3-9-15-14(19)17-11-7-5-4-6-10-16(2)13(18)8-12-17/h3-12H2,1-2H3,(H,15,19)
InChIKeyBQFQEFHEBSYQED-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide (CID 110201437) is 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide is CCCNC(=O)N1CCCCCCN(C)C(=O)CC1.
What is the InChIKey of 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide?
The InChIKey is BQFQEFHEBSYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-9-15-14(19)17-11-7-5-4-6-10-16(2)13(18)8-12-17/h3-12H2,1-2H3,(H,15,19).
What are the key properties of 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide?
5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-propyl-1,5-diazacycloundecane-1-carboxamide is sourced from PubChem (CID 110201437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).