2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide

C10H19NO2 — CID 22336753

IUPAC2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCC(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)7-13-6-5-11-10(12)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,11,12)
InChIKeyCDRDUBQOUSAUIY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.35
Rot. Bonds6

About 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide

2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide (PubChem CID 22336753) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
PubChem CID22336753
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCC(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)7-13-6-5-11-10(12)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,11,12)
InChIKeyCDRDUBQOUSAUIY-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.35
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

2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
1-ethyl-3-[2-(2-methylpropoxy)ethyl]thiourea
CID 115587691
4-(2-methylprop-2-enoylamino)butyl 2-methylpropanoate
CID 59532975
3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
CID 87094013
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 103832967
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
CID 160653023
2-(2-methylpropoxy)ethyl acetate
CID 520944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide (CID 22336753) is 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide is C=C(C)C(=O)NCCOCC(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide?
The InChIKey is CDRDUBQOUSAUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)7-13-6-5-11-10(12)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,11,12).
What are the key properties of 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide?
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 22336753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).