(1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

C18H33N3O3 — CID 110199422

IUPAC(1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCOCCCNC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H33N3O3/c1-20-12-5-3-4-6-13-21(18(23)19-11-8-14-24-2)16-10-7-9-15(16)17(20)22/h15-16H,3-14H2,1-2H3,(H,19,23)/t15-,16+/m1/s1
InChIKeyMTHGXDAFVQDFQZ-CVEARBPZSA-N
MW339.48 g/mol
LogP2.24
Rot. Bonds4

About (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

(1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110199422) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110199422
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCOCCCNC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H33N3O3/c1-20-12-5-3-4-6-13-21(18(23)19-11-8-14-24-2)16-10-7-9-15(16)17(20)22/h15-16H,3-14H2,1-2H3,(H,19,23)/t15-,16+/m1/s1
InChIKeyMTHGXDAFVQDFQZ-CVEARBPZSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyl-8-oxo-dodecahydro-1H-cyclopenta[B][1,5]diazecine-1-carboxamide
CID 110201607
(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199325
(9aR,12aS)-1-isopentyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
CID 110199292
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199282
(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199285
N-Ethyl-9-oxo-tetradecahydrocyclopenta[B]1,5-diazacycloundecane-1-carboxamide
CID 110199323
9-Oxo-N-propyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecane-1-carboxamide
CID 110199326
N-(2-Methylpropyl)-9-oxo-tetradecahydrocyclopenta[B]1,5-diazacycloundecane-1-carboxamide
CID 110199331
(9AR,12AS)-N~1~-Cyclohexyl-8-methyl-9-oxododecahydrocyclopenta[B][1,5]diazacycloundecine-1(2H)-carboxamide
CID 110199418
N-Ethyl-8-methyl-9-oxo-tetradecahydrocyclopenta[B]1,5-diazacycloundecane-1-carboxamide
CID 110199419
(1S,11R)-9-methyl-N-(2-methylpropyl)-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199425
N-(3-Methoxypropyl)-9-oxo-tetradecahydro-1H-1,8-benzodiazacycloundecane-1-carboxamide
CID 110201251

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110199422) is (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is COCCCNC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is MTHGXDAFVQDFQZ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-20-12-5-3-4-6-13-21(18(23)19-11-8-14-24-2)16-10-7-9-15(16)17(20)22/h15-16H,3-14H2,1-2H3,(H,19,23)/t15-,16+/m1/s1.
What are the key properties of (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-(3-methoxypropyl)-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110199422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).