N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen

C18H38N2O3 — CID 170620722

IUPACN-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen
SMILESCOCCCNC(=O)CCCCCCCCN(C)C(=O)C(C)C.[H][H]
InChIInChI=1S/C18H36N2O3.H2/c1-16(2)18(22)20(3)14-10-8-6-5-7-9-12-17(21)19-13-11-15-23-4;/h16H,5-15H2,1-4H3,(H,19,21);1H
InChIKeyUSCMKEGKUPGGEC-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.23
Rot. Bonds14

About N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen

N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen (PubChem CID 170620722) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen
PubChem CID170620722
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC NameN-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen
SMILESCOCCCNC(=O)CCCCCCCCN(C)C(=O)C(C)C.[H][H]
InChIInChI=1S/C18H36N2O3.H2/c1-16(2)18(22)20(3)14-10-8-6-5-7-9-12-17(21)19-13-11-15-23-4;/h16H,5-15H2,1-4H3,(H,19,21);1H
InChIKeyUSCMKEGKUPGGEC-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.23
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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Related Compounds

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571
N'-(3-methoxypropyl)decanediamide
CID 89083408
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
CID 159163951
CID 159163951

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen?
The IUPAC name of N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen (CID 170620722) is N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen.
What is the SMILES notation for N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen?
The canonical SMILES for N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen is COCCCNC(=O)CCCCCCCCN(C)C(=O)C(C)C.[H][H].
What is the InChIKey of N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen?
The InChIKey is USCMKEGKUPGGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3.H2/c1-16(2)18(22)20(3)14-10-8-6-5-7-9-12-17(21)19-13-11-15-23-4;/h16H,5-15H2,1-4H3,(H,19,21);1H.
What are the key properties of N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen?
N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen has a molecular weight of 330.51 g/mol, XLogP of 3.23, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen is sourced from PubChem (CID 170620722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).