N-(2-butan-2-yloxyethyl)prop-2-enamide

C9H17NO2 — CID 58805569

IUPACN-(2-butan-2-yloxyethyl)prop-2-enamide
SMILESC=CC(=O)NCCOC(C)CC
InChIInChI=1S/C9H17NO2/c1-4-8(3)12-7-6-10-9(11)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyNWQFIZFGDVIJPA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds6

About N-(2-butan-2-yloxyethyl)prop-2-enamide

N-(2-butan-2-yloxyethyl)prop-2-enamide (PubChem CID 58805569) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-butan-2-yloxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-butan-2-yloxyethyl)prop-2-enamide
PubChem CID58805569
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-butan-2-yloxyethyl)prop-2-enamide
SMILESC=CC(=O)NCCOC(C)CC
InChIInChI=1S/C9H17NO2/c1-4-8(3)12-7-6-10-9(11)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11)
InChIKeyNWQFIZFGDVIJPA-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
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,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))diacrylamide
CID 42636032
2-Propenamide, N-(2-ethoxyethyl)-
CID 11955395
N-(2-methoxyethyl)acrylamide
CID 11976962
Acrylic acid beta-vinyloxyethylamide
CID 14946261
N-(oxiran-2-ylmethyl)prop-2-enamide
CID 23508675
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)acrylamide
CID 89746615
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
N-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
N-(2-butoxyethyl)prop-2-enamide
CID 18970995
N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 19105381

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yloxyethyl)prop-2-enamide?
The IUPAC name of N-(2-butan-2-yloxyethyl)prop-2-enamide (CID 58805569) is N-(2-butan-2-yloxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2-butan-2-yloxyethyl)prop-2-enamide?
The canonical SMILES for N-(2-butan-2-yloxyethyl)prop-2-enamide is C=CC(=O)NCCOC(C)CC.
What is the InChIKey of N-(2-butan-2-yloxyethyl)prop-2-enamide?
The InChIKey is NWQFIZFGDVIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8(3)12-7-6-10-9(11)5-2/h5,8H,2,4,6-7H2,1,3H3,(H,10,11).
What are the key properties of N-(2-butan-2-yloxyethyl)prop-2-enamide?
N-(2-butan-2-yloxyethyl)prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yloxyethyl)prop-2-enamide is sourced from PubChem (CID 58805569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).