4-ethoxy-N-pent-4-ynylbutanamide

C11H19NO2 — CID 103708929

IUPAC4-ethoxy-N-pent-4-ynylbutanamide
SMILESC#CCCCNC(=O)CCCOCC
InChIInChI=1S/C11H19NO2/c1-3-5-6-9-12-11(13)8-7-10-14-4-2/h1H,4-10H2,2H3,(H,12,13)
InChIKeyOBZKNGTZCOIKKA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds8

About 4-ethoxy-N-pent-4-ynylbutanamide

4-ethoxy-N-pent-4-ynylbutanamide (PubChem CID 103708929) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-ethoxy-N-pent-4-ynylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N-pent-4-ynylbutanamide
PubChem CID103708929
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-ethoxy-N-pent-4-ynylbutanamide
SMILESC#CCCCNC(=O)CCCOCC
InChIInChI=1S/C11H19NO2/c1-3-5-6-9-12-11(13)8-7-10-14-4-2/h1H,4-10H2,2H3,(H,12,13)
InChIKeyOBZKNGTZCOIKKA-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
ethyl 4-(hept-6-ynoylamino)butanoate
CID 103907596
1-ethoxyoct-7-yn-4-one
CID 105100778
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-but-3-ynylhex-5-ynamide
CID 10630847
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
CID 162749894
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate
CID 177307404
3-methylsulfanyl-N-pent-4-ynylpropanamide
CID 103708752
N'-[3-[2-[2-[3-(3-chloropropanoylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 126550925
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
CID 103270054

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-pent-4-ynylbutanamide?
The IUPAC name of 4-ethoxy-N-pent-4-ynylbutanamide (CID 103708929) is 4-ethoxy-N-pent-4-ynylbutanamide.
What is the SMILES notation for 4-ethoxy-N-pent-4-ynylbutanamide?
The canonical SMILES for 4-ethoxy-N-pent-4-ynylbutanamide is C#CCCCNC(=O)CCCOCC.
What is the InChIKey of 4-ethoxy-N-pent-4-ynylbutanamide?
The InChIKey is OBZKNGTZCOIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-6-9-12-11(13)8-7-10-14-4-2/h1H,4-10H2,2H3,(H,12,13).
What are the key properties of 4-ethoxy-N-pent-4-ynylbutanamide?
4-ethoxy-N-pent-4-ynylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-pent-4-ynylbutanamide is sourced from PubChem (CID 103708929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).