4-ethoxy-N-prop-2-enylbutanamide

C9H17NO2 — CID 112728026

IUPAC4-ethoxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCOCC
InChIInChI=1S/C9H17NO2/c1-3-7-10-9(11)6-5-8-12-4-2/h3H,1,4-8H2,2H3,(H,10,11)
InChIKeyHMEKMZFNVHPNHE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds7

About 4-ethoxy-N-prop-2-enylbutanamide

4-ethoxy-N-prop-2-enylbutanamide (PubChem CID 112728026) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-ethoxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N-prop-2-enylbutanamide
PubChem CID112728026
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-ethoxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCOCC
InChIInChI=1S/C9H17NO2/c1-3-7-10-9(11)6-5-8-12-4-2/h3H,1,4-8H2,2H3,(H,10,11)
InChIKeyHMEKMZFNVHPNHE-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
N-prop-2-enyloctanamide
CID 4071942
4-hydroxy-N-prop-2-enylbutanamide
CID 55286226
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
[(2S)-2-(2-ethoxyethoxy)-4-oxo-4-(prop-2-enylamino)butyl] methanesulfonate
CID 139705713
4-(4-ethoxybutanoylamino)-3-methylbutanoic acid
CID 81063028
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
CID 115775753
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-prop-2-enylbutanamide?
The IUPAC name of 4-ethoxy-N-prop-2-enylbutanamide (CID 112728026) is 4-ethoxy-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-ethoxy-N-prop-2-enylbutanamide?
The canonical SMILES for 4-ethoxy-N-prop-2-enylbutanamide is C=CCNC(=O)CCCOCC.
What is the InChIKey of 4-ethoxy-N-prop-2-enylbutanamide?
The InChIKey is HMEKMZFNVHPNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-7-10-9(11)6-5-8-12-4-2/h3H,1,4-8H2,2H3,(H,10,11).
What are the key properties of 4-ethoxy-N-prop-2-enylbutanamide?
4-ethoxy-N-prop-2-enylbutanamide has a molecular weight of 171.24 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 112728026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).