N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide

C14H26N2O3 — CID 174821718

IUPACN-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)COCC.C=CC(N)=O
InChIInChI=1S/C11H21NO2.C3H5NO/c1-5-7-8-12(9-14-6-2)11(13)10(3)4;1-2-3(4)5/h3,5-9H2,1-2,4H3;2H,1H2,(H2,4,5)
InChIKeyPZULONBUECTVNS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.84
Rot. Bonds8

About N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide

N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide (PubChem CID 174821718) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide
PubChem CID174821718
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)COCC.C=CC(N)=O
InChIInChI=1S/C11H21NO2.C3H5NO/c1-5-7-8-12(9-14-6-2)11(13)10(3)4;1-2-3(4)5/h3,5-9H2,1-2,4H3;2H,1H2,(H2,4,5)
InChIKeyPZULONBUECTVNS-UHFFFAOYSA-N
XLogP1.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 18794978
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
pentane;prop-2-enamide
CID 139391622
N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 174975704
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide
CID 19038714
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
N-[3-(dimethylamino)propyl]-N-(methoxymethyl)-2-methylprop-2-enamide
CID 151029194
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
butyl carbamate;prop-2-enamide
CID 174431220

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide?
The IUPAC name of N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide (CID 174821718) is N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide?
The canonical SMILES for N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide is C=C(C)C(=O)N(CCCC)COCC.C=CC(N)=O.
What is the InChIKey of N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide?
The InChIKey is PZULONBUECTVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C3H5NO/c1-5-7-8-12(9-14-6-2)11(13)10(3)4;1-2-3(4)5/h3,5-9H2,1-2,4H3;2H,1H2,(H2,4,5).
What are the key properties of N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide?
N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide has a molecular weight of 270.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 174821718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).