N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide

C12H24N2O — CID 19756688

IUPACN-[2-[butyl(propyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(CCC)CCCC
InChIInChI=1S/C12H24N2O/c1-4-7-10-14(9-5-2)11-8-13-12(15)6-3/h6H,3-5,7-11H2,1-2H3,(H,13,15)
InChIKeyWXBZDPQULDCASN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds9

About N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide

N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide (PubChem CID 19756688) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[butyl(propyl)amino]ethyl]prop-2-enamide
PubChem CID19756688
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-[butyl(propyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(CCC)CCCC
InChIInChI=1S/C12H24N2O/c1-4-7-10-14(9-5-2)11-8-13-12(15)6-3/h6H,3-5,7-11H2,1-2H3,(H,13,15)
InChIKeyWXBZDPQULDCASN-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
n-Butyl-2-propenamide
CID 642908
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(n-Propyl) acrylamide
CID 114794
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N-(2-Aminoethyl)acrylamide hydrochloride
CID 21939126
N-Hexylprop-2-enamide
CID 18172794
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
N-(2-aminoethyl)acrylamide
CID 152664

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide (CID 19756688) is N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(CCC)CCCC.
What is the InChIKey of N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide?
The InChIKey is WXBZDPQULDCASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-10-14(9-5-2)11-8-13-12(15)6-3/h6H,3-5,7-11H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide?
N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(propyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 19756688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).