N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide

C11H21NO2 — CID 89346405

IUPACN-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)CCOC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-10(13)12-9(2)7-8-14-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyPQTCOHQNWOMXMB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide

N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide (PubChem CID 89346405) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide
PubChem CID89346405
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)CCOC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-10(13)12-9(2)7-8-14-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyPQTCOHQNWOMXMB-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

n-Ethoxypropylacrylamide
CID 22016512
N-(4-ethoxybutyl)prop-2-enamide
CID 13587534
N-(4-butoxybutyl)prop-2-enamide
CID 13587535
N-(3-propan-2-yloxypropyl)prop-2-enamide
CID 19907001
N-[3-(2-methoxyethoxy)propyl]prop-2-enamide
CID 19907003
N'-(3-butoxypropyl)but-2-enediamide
CID 53876857
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
N-[3-(2-methylpropoxy)propyl]prop-2-enamide
CID 61250863
N-(3-propoxypropyl)prop-2-enamide
CID 82941236
3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide
CID 87598895
N-(3-butoxypropyl)prop-2-enamide
CID 87737301

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
The IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide (CID 89346405) is N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
The canonical SMILES for N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide is C=CC(=O)NC(C)CCOC(C)(C)C.
What is the InChIKey of N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
The InChIKey is PQTCOHQNWOMXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-10(13)12-9(2)7-8-14-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide is sourced from PubChem (CID 89346405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).