N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

C9H17NO2 — CID 115700214

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CC
InChIInChI=1S/C9H17NO2/c1-4-9(11)10-5-6-12-7-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyWQQXAKVUXMRGOM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 115700214) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID115700214
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CC
InChIInChI=1S/C9H17NO2/c1-4-9(11)10-5-6-12-7-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyWQQXAKVUXMRGOM-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599
N-(3-methylbut-3-enyl)propanamide
CID 89197899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 115700214) is N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)CC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is WQQXAKVUXMRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-9(11)10-5-6-12-7-8(2)3/h2,4-7H2,1,3H3,(H,10,11).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 171.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is sourced from PubChem (CID 115700214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).