2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate

C16H31NO3 — CID 162060227

IUPAC2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCN(C)C(=O)C(C)C
InChIInChI=1S/C16H31NO3/c1-5-6-7-8-9-10-11-15(18)20-13-12-17(4)16(19)14(2)3/h14H,5-13H2,1-4H3
InChIKeySWEQJNMWLHAITN-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.39
Rot. Bonds11

About 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate

2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate (PubChem CID 162060227) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate.

Molecular Properties

Compound Name2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate
PubChem CID162060227
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCN(C)C(=O)C(C)C
InChIInChI=1S/C16H31NO3/c1-5-6-7-8-9-10-11-15(18)20-13-12-17(4)16(19)14(2)3/h14H,5-13H2,1-4H3
InChIKeySWEQJNMWLHAITN-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
2-[di(propan-2-yl)amino]ethyl hexadecanoate
CID 54190007
2-[2-aminopropanoyl(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 176872784
2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate
CID 118631053
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl (Z)-octadec-9-enoate
CID 54611864
2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl tetradecanoate
CID 137363747
dinonyl decanedioate
CID 20075
7-O-hexadecyl 1-O-octyl heptanedioate
CID 91718441
docosyl docosanoate;docosyl octadecanoate
CID 175861310
dodecyl undecanoate
CID 56935973

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate?
The IUPAC name of 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate (CID 162060227) is 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate.
What is the SMILES notation for 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate?
The canonical SMILES for 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate is CCCCCCCCC(=O)OCCN(C)C(=O)C(C)C.
What is the InChIKey of 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate?
The InChIKey is SWEQJNMWLHAITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-5-6-7-8-9-10-11-15(18)20-13-12-17(4)16(19)14(2)3/h14H,5-13H2,1-4H3.
What are the key properties of 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate?
2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate has a molecular weight of 285.43 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate is sourced from PubChem (CID 162060227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).