2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate

C11H19NO3 — CID 171502645

IUPAC2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C=O)CCCC
InChIInChI=1S/C11H19NO3/c1-4-5-6-12(9-13)7-8-15-11(14)10(2)3/h9H,2,4-8H2,1,3H3
InChIKeyPXRVYCDTJYHANH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds8

About 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate

2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 171502645) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID171502645
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C=O)CCCC
InChIInChI=1S/C11H19NO3/c1-4-5-6-12(9-13)7-8-15-11(14)10(2)3/h9H,2,4-8H2,1,3H3
InChIKeyPXRVYCDTJYHANH-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;ethene
CID 158758814
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
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
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
2-[methyl(pentanoyl)amino]ethyl 2-methylprop-2-enoate
CID 101151027

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate (CID 171502645) is 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C=O)CCCC.
What is the InChIKey of 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is PXRVYCDTJYHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-6-12(9-13)7-8-15-11(14)10(2)3/h9H,2,4-8H2,1,3H3.
What are the key properties of 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate?
2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(formyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 171502645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).