N-pentoxyprop-2-enamide

C8H15NO2 — CID 174822996

IUPACN-pentoxyprop-2-enamide
SMILESC=CC(=O)NOCCCCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-11-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyNMSOXNONBZGCBF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.41
Rot. Bonds6

About N-pentoxyprop-2-enamide

N-pentoxyprop-2-enamide (PubChem CID 174822996) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-pentoxyprop-2-enamide.

Molecular Properties

Compound NameN-pentoxyprop-2-enamide
PubChem CID174822996
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-pentoxyprop-2-enamide
SMILESC=CC(=O)NOCCCCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-11-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyNMSOXNONBZGCBF-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.41
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pentyl prop-2-enoate;prop-2-enamide
CID 175210545
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
hexadecyl 3-(prop-2-enoylamino)propanoate
CID 91712853
dodecyl 3-(prop-2-enoylamino)propanoate
CID 91739006
hexyl 4-(prop-2-enoylamino)butanoate
CID 170269478
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of N-pentoxyprop-2-enamide?
The IUPAC name of N-pentoxyprop-2-enamide (CID 174822996) is N-pentoxyprop-2-enamide.
What is the SMILES notation for N-pentoxyprop-2-enamide?
The canonical SMILES for N-pentoxyprop-2-enamide is C=CC(=O)NOCCCCC.
What is the InChIKey of N-pentoxyprop-2-enamide?
The InChIKey is NMSOXNONBZGCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-7-11-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10).
What are the key properties of N-pentoxyprop-2-enamide?
N-pentoxyprop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentoxyprop-2-enamide is sourced from PubChem (CID 174822996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).