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

C9H18N2O — CID 21149456

IUPACN-[2-[ethyl(methyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)N(C)CC
InChIInChI=1S/C9H18N2O/c1-5-9(12)10-7-8(3)11(4)6-2/h5,8H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyGKANLFJRUMAEFD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds5

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

N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide (PubChem CID 21149456) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]propyl]prop-2-enamide
PubChem CID21149456
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[2-[ethyl(methyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)N(C)CC
InChIInChI=1S/C9H18N2O/c1-5-9(12)10-7-8(3)11(4)6-2/h5,8H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyGKANLFJRUMAEFD-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
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

N-Isopropylacrylamide
CID 16637
(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
Nigragillin
CID 71454343
Poly(N-isopropylacrylamide-N-tert-butylacrylamide)copolymer
CID 3080965
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
N-(2-aminoethyl)acrylamide
CID 152664
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide (CID 21149456) is N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide is C=CC(=O)NCC(C)N(C)CC.
What is the InChIKey of N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide?
The InChIKey is GKANLFJRUMAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-9(12)10-7-8(3)11(4)6-2/h5,8H,1,6-7H2,2-4H3,(H,10,12).
What are the key properties of N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide?
N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 21149456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).