2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride

C24H48ClNO2 — CID 89314479

IUPAC2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCNC(C)(C)CCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C24H47NO2.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(4,5)25-20-21-27-23(26)22(2)3;/h25H,2,6-21H2,1,3-5H3;1H
InChIKeyHQTWIIJNTDOVMH-UHFFFAOYSA-N
MW418.11 g/mol
LogP7.38
Rot. Bonds19

About 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride

2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 89314479) has the molecular formula C24H48ClNO2 and a molecular weight of 418.11 g/mol. Its IUPAC name is 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Name2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
PubChem CID89314479
Molecular FormulaC24H48ClNO2
Molecular Weight418.11 g/mol
Exact Mass417.34
IUPAC Name2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCNC(C)(C)CCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C24H47NO2.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(4,5)25-20-21-27-23(26)22(2)3;/h25H,2,6-21H2,1,3-5H3;1H
InChIKeyHQTWIIJNTDOVMH-UHFFFAOYSA-N
XLogP7.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.11
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyltridecan-2-ylamino)ethyl 2-methylprop-2-enoate
CID 89314536
4-(2-methylheptadecan-2-ylamino)butyl 2-methylprop-2-enoate;hydrobromide
CID 89314501
[4-(hexadecylamino)-4-methylpentyl] 2-methylprop-2-enoate;hydrobromide
CID 89314505
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
methane;nonyl 2-methylprop-2-enoate
CID 174847930
8,8-dimethyldecyl 2-methylprop-2-enoate
CID 58241592

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride (CID 89314479) is 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)OCCNC(C)(C)CCCCCCCCCCCCCCC.Cl.
What is the InChIKey of 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is HQTWIIJNTDOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(4,5)25-20-21-27-23(26)22(2)3;/h25H,2,6-21H2,1,3-5H3;1H.
What are the key properties of 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 418.11 g/mol, XLogP of 7.38, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 89314479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).