N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide

C9H17NO2 — CID 81058196

IUPACN-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCOC(C)C
InChIInChI=1S/C9H17NO2/c1-5-9(11)10(4)6-7-12-8(2)3/h5,8H,1,6-7H2,2-4H3
InChIKeyKMGGIZQKODWBTH-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide

N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide (PubChem CID 81058196) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide
PubChem CID81058196
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCOC(C)C
InChIInChI=1S/C9H17NO2/c1-5-9(11)10(4)6-7-12-8(2)3/h5,8H,1,6-7H2,2-4H3
InChIKeyKMGGIZQKODWBTH-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide (CID 81058196) is N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide is C=CC(=O)N(C)CCOC(C)C.
What is the InChIKey of N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
The InChIKey is KMGGIZQKODWBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-9(11)10(4)6-7-12-8(2)3/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide?
N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-yloxyethyl)prop-2-enamide is sourced from PubChem (CID 81058196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).