2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide

C11H21NO2 — CID 59532888

IUPAC2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCOC(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)12-7-5-6-8-14-10(3)4/h10H,1,5-8H2,2-4H3,(H,12,13)
InChIKeyUFOKGBZTICKOHF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds7

About 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide

2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide (PubChem CID 59532888) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide
PubChem CID59532888
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCOC(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)12-7-5-6-8-14-10(3)4/h10H,1,5-8H2,2-4H3,(H,12,13)
InChIKeyUFOKGBZTICKOHF-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(4,4-diethoxybutyl) methacrylamide
CID 22335750
N-(3-methoxypropyl)-2-methylprop-2-enamide
CID 9989479
N-(4,4-dimethoxybutyl)-2-methylprop-2-enamide
CID 10420355
N-(4-ethoxybutyl)prop-2-enamide
CID 13587534
N-(4-butoxybutyl)prop-2-enamide
CID 13587535
N-(4-butoxybutyl)-2-methylprop-2-enamide
CID 13587553
N-(1-ethoxypropyl)-2-methylprop-2-enamide
CID 17861946
2-methyl-N-[1-(2-methylpropoxy)ethyl]prop-2-enamide
CID 17991728
2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
CID 18188384
N-(2-butoxyethyl)-2-methylprop-2-enamide
CID 18366428
N-(4-methoxybutyl)-2-methylprop-2-enamide
CID 18769634
2-methyl-N-(3-propoxypropyl)prop-2-enamide
CID 20591608

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide (CID 59532888) is 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide is C=C(C)C(=O)NCCCCOC(C)C.
What is the InChIKey of 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide?
The InChIKey is UFOKGBZTICKOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(13)12-7-5-6-8-14-10(3)4/h10H,1,5-8H2,2-4H3,(H,12,13).
What are the key properties of 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide?
2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-yloxybutyl)prop-2-enamide is sourced from PubChem (CID 59532888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).