(1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C17H30N2O3 — CID 110199373

IUPAC(1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOCCC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C17H30N2O3/c1-18-11-5-3-4-6-12-19(16(20)10-13-22-2)15-9-7-8-14(15)17(18)21/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyWMJWYJSZXGGDNR-CABCVRRESA-N
MW310.44 g/mol
LogP2.05
Rot. Bonds3

About (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199373) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199373
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOCCC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C17H30N2O3/c1-18-11-5-3-4-6-12-19(16(20)10-13-22-2)15-9-7-8-14(15)17(18)21/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyWMJWYJSZXGGDNR-CABCVRRESA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one with MolForge

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Related Compounds

(1S,11R)-9-methyl-2-(2-methylpropanoyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199390
(1S,11R)-9-methyl-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199397
1-Cyclopropanecarbonyl-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199360
(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199361
(8aR,11aS)-1-(3-methoxypropanoyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201545
3-methoxy-2-methyl-N-(2-methylcyclopentyl)-N-propan-2-ylbutanamide
CID 129252872
2-amino-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 64822524
2-amino-N-(3-methoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 64823683
2-amino-N-(3-methoxypropyl)-N-methylcyclopentane-1-carboxamide
CID 64825022
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methoxypropanamide
CID 65827901
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropanamide
CID 65850498
2-(Cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 156611655

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199373) is (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is COCCC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is WMJWYJSZXGGDNR-CABCVRRESA-N. The full InChI is InChI=1S/C17H30N2O3/c1-18-11-5-3-4-6-12-19(16(20)10-13-22-2)15-9-7-8-14(15)17(18)21/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 310.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).