ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate

C24H49NO2 — CID 20571657

IUPACethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
SMILESCCCCCCCCCCCCCC(C)(C)NCCCCCC(=O)OCC
InChIInChI=1S/C24H49NO2/c1-5-7-8-9-10-11-12-13-14-15-18-21-24(3,4)25-22-19-16-17-20-23(26)27-6-2/h25H,5-22H2,1-4H3
InChIKeyJPHCPBZOLZHMPQ-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.18
Rot. Bonds20

About ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate

ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate (PubChem CID 20571657) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
PubChem CID20571657
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Nameethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
SMILESCCCCCCCCCCCCCC(C)(C)NCCCCCC(=O)OCC
InChIInChI=1S/C24H49NO2/c1-5-7-8-9-10-11-12-13-14-15-18-21-24(3,4)25-22-19-16-17-20-23(26)27-6-2/h25H,5-22H2,1-4H3
InChIKeyJPHCPBZOLZHMPQ-UHFFFAOYSA-N
XLogP7.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.18
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

ethyl 6-(4-propylheptadecan-4-ylamino)hexanoate
CID 20571646
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;gallane
CID 174708288

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate?
The IUPAC name of ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate (CID 20571657) is ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate.
What is the SMILES notation for ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate?
The canonical SMILES for ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate is CCCCCCCCCCCCCC(C)(C)NCCCCCC(=O)OCC.
What is the InChIKey of ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate?
The InChIKey is JPHCPBZOLZHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-5-7-8-9-10-11-12-13-14-15-18-21-24(3,4)25-22-19-16-17-20-23(26)27-6-2/h25H,5-22H2,1-4H3.
What are the key properties of ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate?
ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate has a molecular weight of 383.66 g/mol, XLogP of 7.18, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate is sourced from PubChem (CID 20571657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).