N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride

C11H20ClNO2 — CID 173326551

IUPACN-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)NC(CC)(CC)CC=O.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-5-11(6-2,7-8-13)12-10(14)9(3)4;/h8H,3,5-7H2,1-2,4H3,(H,12,14);1H
InChIKeyYMVMMFSWTWTMIX-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.25
Rot. Bonds6

About N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride

N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride (PubChem CID 173326551) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
PubChem CID173326551
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)NC(CC)(CC)CC=O.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-5-11(6-2,7-8-13)12-10(14)9(3)4;/h8H,3,5-7H2,1-2,4H3,(H,12,14);1H
InChIKeyYMVMMFSWTWTMIX-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 154599042
N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide
CID 88853060
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 87578261
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 87578260
2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid
CID 54086447
3-[(2-methylprop-2-enoylamino)methyl]pentan-3-ylphosphonic acid
CID 87115726
1-ethyl-3-(3-ethylhex-5-en-3-yl)urea
CID 170091318
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
CID 150718291
N-[2-(tert-butylamino)-3-(2-methylprop-2-enoylamino)-2-[(2-methylprop-2-enoylamino)methyl]propyl]-2-methylprop-2-enamide
CID 58422255

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride?
The IUPAC name of N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride (CID 173326551) is N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride.
What is the SMILES notation for N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride?
The canonical SMILES for N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride is C=C(C)C(=O)NC(CC)(CC)CC=O.Cl.
What is the InChIKey of N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride?
The InChIKey is YMVMMFSWTWTMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-5-11(6-2,7-8-13)12-10(14)9(3)4;/h8H,3,5-7H2,1-2,4H3,(H,12,14);1H.
What are the key properties of N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride?
N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride is sourced from PubChem (CID 173326551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).