nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate

C20H39NO5 — CID 91733215

IUPACnonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate
SMILESCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCOC
InChIInChI=1S/C20H39NO5/c1-6-7-8-9-10-11-12-13-25-19(22)18(16-17(2)3)21(4)20(23)26-15-14-24-5/h17-18H,6-16H2,1-5H3
InChIKeyASEQMQPYPOUPGN-UHFFFAOYSA-N
MW373.53 g/mol
LogP4.41
Rot. Bonds15

About nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate

nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate (PubChem CID 91733215) has the molecular formula C20H39NO5 and a molecular weight of 373.53 g/mol. Its IUPAC name is nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namenonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate
PubChem CID91733215
Molecular FormulaC20H39NO5
Molecular Weight373.53 g/mol
Exact Mass373.28
IUPAC Namenonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate
SMILESCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCOC
InChIInChI=1S/C20H39NO5/c1-6-7-8-9-10-11-12-13-25-19(22)18(16-17(2)3)21(4)20(23)26-15-14-24-5/h17-18H,6-16H2,1-5H3
InChIKeyASEQMQPYPOUPGN-UHFFFAOYSA-N
XLogP4.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

decyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
CID 91729750
pentadecyl (2S)-2-[3-chloropropoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91735657
pentadecyl (2S)-2-[but-3-ynoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91732236
heptyl 2-[[2-[2-chloroethoxycarbonyl(methyl)amino]-4-methylpentanoyl]-methylamino]-4-methylpentanoate
CID 91733898
tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91730234
butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 87389517
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
decyl 2-[butoxycarbonyl(methyl)amino]propanoate
CID 91722884
decyl 2-[methyl(propoxycarbonyl)amino]propanoate
CID 91718697

Frequently Asked Questions

What is the IUPAC name of nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate?
The IUPAC name of nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate (CID 91733215) is nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate.
What is the SMILES notation for nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate?
The canonical SMILES for nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate is CCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCOC.
What is the InChIKey of nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate?
The InChIKey is ASEQMQPYPOUPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO5/c1-6-7-8-9-10-11-12-13-25-19(22)18(16-17(2)3)21(4)20(23)26-15-14-24-5/h17-18H,6-16H2,1-5H3.
What are the key properties of nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate?
nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate has a molecular weight of 373.53 g/mol, XLogP of 4.41, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate is sourced from PubChem (CID 91733215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).