carbonic acid;N-hexylprop-2-enamide

C10H19NO4 — CID 22445987

IUPACcarbonic acid;N-hexylprop-2-enamide
SMILESC=CC(=O)NCCCCCC.O=C(O)O
InChIInChI=1S/C9H17NO.CH2O3/c1-3-5-6-7-8-10-9(11)4-2;2-1(3)4/h4H,2-3,5-8H2,1H3,(H,10,11);(H2,2,3,4)
InChIKeyOTPNNFFMLAIXMF-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.09
Rot. Bonds6

About carbonic acid;N-hexylprop-2-enamide

carbonic acid;N-hexylprop-2-enamide (PubChem CID 22445987) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is carbonic acid;N-hexylprop-2-enamide.

Molecular Properties

Compound Namecarbonic acid;N-hexylprop-2-enamide
PubChem CID22445987
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namecarbonic acid;N-hexylprop-2-enamide
SMILESC=CC(=O)NCCCCCC.O=C(O)O
InChIInChI=1S/C9H17NO.CH2O3/c1-3-5-6-7-8-10-9(11)4-2;2-1(3)4/h4H,2-3,5-8H2,1H3,(H,10,11);(H2,2,3,4)
InChIKeyOTPNNFFMLAIXMF-UHFFFAOYSA-N
XLogP2.09
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.09
H-Bond Donors ≤ 53
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

N-heptadecylprop-2-enamide
CID 20727742
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide
CID 138470318
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-hexylprop-2-enamide?
The IUPAC name of carbonic acid;N-hexylprop-2-enamide (CID 22445987) is carbonic acid;N-hexylprop-2-enamide.
What is the SMILES notation for carbonic acid;N-hexylprop-2-enamide?
The canonical SMILES for carbonic acid;N-hexylprop-2-enamide is C=CC(=O)NCCCCCC.O=C(O)O.
What is the InChIKey of carbonic acid;N-hexylprop-2-enamide?
The InChIKey is OTPNNFFMLAIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.CH2O3/c1-3-5-6-7-8-10-9(11)4-2;2-1(3)4/h4H,2-3,5-8H2,1H3,(H,10,11);(H2,2,3,4).
What are the key properties of carbonic acid;N-hexylprop-2-enamide?
carbonic acid;N-hexylprop-2-enamide has a molecular weight of 217.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-hexylprop-2-enamide is sourced from PubChem (CID 22445987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).