2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate

C16H29NO5 — CID 129193329

IUPAC2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNC(=O)OCCCCCCC
InChIInChI=1S/C16H29NO5/c1-4-5-6-7-8-10-22-16(19)17-9-11-20-12-13-21-15(18)14(2)3/h2,4-13H2,1,3H3,(H,17,19)
InChIKeyRMYJRXZHQHDXFY-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.82
Rot. Bonds13

About 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 129193329) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID129193329
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNC(=O)OCCCCCCC
InChIInChI=1S/C16H29NO5/c1-4-5-6-7-8-10-22-16(19)17-9-11-20-12-13-21-15(18)14(2)3/h2,4-13H2,1,3H3,(H,17,19)
InChIKeyRMYJRXZHQHDXFY-UHFFFAOYSA-N
XLogP2.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
octatetracontyl 2-methylprop-2-enoate
CID 141233444
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
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
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
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684
methane;nonyl 2-methylprop-2-enoate
CID 174847930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate (CID 129193329) is 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCNC(=O)OCCCCCCC.
What is the InChIKey of 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is RMYJRXZHQHDXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-4-5-6-7-8-10-22-16(19)17-9-11-20-12-13-21-15(18)14(2)3/h2,4-13H2,1,3H3,(H,17,19).
What are the key properties of 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 315.41 g/mol, XLogP of 2.82, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 129193329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).