2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide

C14H23NO3 — CID 160653023

IUPAC2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CCCCOCCNC(=O)C(=C)C
InChIInChI=1S/C14H23NO3/c1-11(2)13(16)7-5-6-9-18-10-8-15-14(17)12(3)4/h1,3,5-10H2,2,4H3,(H,15,17)
InChIKeyRKRAPEKRAPJRCV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.01
Rot. Bonds10

About 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide

2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide (PubChem CID 160653023) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
PubChem CID160653023
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CCCCOCCNC(=O)C(=C)C
InChIInChI=1S/C14H23NO3/c1-11(2)13(16)7-5-6-9-18-10-8-15-14(17)12(3)4/h1,3,5-10H2,2,4H3,(H,15,17)
InChIKeyRKRAPEKRAPJRCV-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-[3-[2-(6-methyl-5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;2-methyl-N-(6-methyl-5-oxohept-6-en-2-yl)prop-2-enamide;2-methyl-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)prop-2-enamide;2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide;bis(2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide);2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;2-methyl-N-[1-[2-(2-methylprop-2-enoylamino)propoxy]propan-2-yl]prop-2-enamide;2-methyl-N-[3-[3-(2-methylprop-2-enoylamino)propoxy]propyl]prop-2-enamide;2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]prop-2-enamide
CID 164966430
12-[dimethyl-(6-methyl-5-oxohept-6-enyl)azaniumyl]dodecyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium dibromide
CID 167613154
methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
CID 25221074
2-methyl-7-silyloxyhept-1-en-3-one
CID 150129345
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide
CID 121359437
tert-butyl N-[2-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 123612457
2-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435
2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium
CID 154599046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide (CID 160653023) is 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide is C=C(C)C(=O)CCCCOCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide?
The InChIKey is RKRAPEKRAPJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)13(16)7-5-6-9-18-10-8-15-14(17)12(3)4/h1,3,5-10H2,2,4H3,(H,15,17).
What are the key properties of 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide?
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide has a molecular weight of 253.34 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 160653023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).