N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide

C13H22N2O2 — CID 158816365

IUPACN-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCC(CC)N(C)C(=O)C=C
InChIInChI=1S/C13H22N2O2/c1-6-11(15(5)13(17)8-3)9-10-14(4)12(16)7-2/h7-8,11H,2-3,6,9-10H2,1,4-5H3
InChIKeyIVHYOWTZNGLVBJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds7

About N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide (PubChem CID 158816365) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
PubChem CID158816365
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCC(CC)N(C)C(=O)C=C
InChIInChI=1S/C13H22N2O2/c1-6-11(15(5)13(17)8-3)9-10-14(4)12(16)7-2/h7-8,11H,2-3,6,9-10H2,1,4-5H3
InChIKeyIVHYOWTZNGLVBJ-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride
CID 173423557
1-[methyl(prop-2-enoyl)amino]hexan-3-ylphosphonic acid
CID 90826851
CID 58422062
CID 58422062
N-(2-ethylhexyl)-N-methylprop-2-enamide
CID 150337538
2-[methyl(prop-2-enoyl)amino]propane-1-sulfonic acid
CID 23496741
triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium
CID 141091344
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide (CID 158816365) is N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide is C=CC(=O)N(C)CCC(CC)N(C)C(=O)C=C.
What is the InChIKey of N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide?
The InChIKey is IVHYOWTZNGLVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-11(15(5)13(17)8-3)9-10-14(4)12(16)7-2/h7-8,11H,2-3,6,9-10H2,1,4-5H3.
What are the key properties of N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide?
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide is sourced from PubChem (CID 158816365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).