N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide

C15H29N3O3 — CID 110201440

IUPACN-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide
SMILESCOCCCNC(=O)N1CCCCCCN(C)C(=O)CC1
InChIInChI=1S/C15H29N3O3/c1-17-10-5-3-4-6-11-18(12-8-14(17)19)15(20)16-9-7-13-21-2/h3-13H2,1-2H3,(H,16,20)
InChIKeyBEJLSSTUKWIQHM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.46
Rot. Bonds4

About N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide

N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide (PubChem CID 110201440) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide
PubChem CID110201440
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide
SMILESCOCCCNC(=O)N1CCCCCCN(C)C(=O)CC1
InChIInChI=1S/C15H29N3O3/c1-17-10-5-3-4-6-11-18(12-8-14(17)19)15(20)16-9-7-13-21-2/h3-13H2,1-2H3,(H,16,20)
InChIKeyBEJLSSTUKWIQHM-UHFFFAOYSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide (CID 110201440) is N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide is COCCCNC(=O)N1CCCCCCN(C)C(=O)CC1.
What is the InChIKey of N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
The InChIKey is BEJLSSTUKWIQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-17-10-5-3-4-6-11-18(12-8-14(17)19)15(20)16-9-7-13-21-2/h3-13H2,1-2H3,(H,16,20).
What are the key properties of N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide?
N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-methyl-4-oxo-1,5-diazacycloundecane-1-carboxamide is sourced from PubChem (CID 110201440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).