N-(1-butoxydecyl)-2-cyanoprop-2-enamide

C18H32N2O2 — CID 19079930

IUPACN-(1-butoxydecyl)-2-cyanoprop-2-enamide
SMILESC=C(C#N)C(=O)NC(CCCCCCCCC)OCCCC
InChIInChI=1S/C18H32N2O2/c1-4-6-8-9-10-11-12-13-17(22-14-7-5-2)20-18(21)16(3)15-19/h17H,3-14H2,1-2H3,(H,20,21)
InChIKeyLFBXJXGPLOVLCZ-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.47
Rot. Bonds14

About N-(1-butoxydecyl)-2-cyanoprop-2-enamide

N-(1-butoxydecyl)-2-cyanoprop-2-enamide (PubChem CID 19079930) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(1-butoxydecyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound NameN-(1-butoxydecyl)-2-cyanoprop-2-enamide
PubChem CID19079930
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-(1-butoxydecyl)-2-cyanoprop-2-enamide
SMILESC=C(C#N)C(=O)NC(CCCCCCCCC)OCCCC
InChIInChI=1S/C18H32N2O2/c1-4-6-8-9-10-11-12-13-17(22-14-7-5-2)20-18(21)16(3)15-19/h17H,3-14H2,1-2H3,(H,20,21)
InChIKeyLFBXJXGPLOVLCZ-UHFFFAOYSA-N
XLogP4.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-butoxypropyl 2-cyanoprop-2-enoate
CID 22266567
1-decoxy-N-ethylundecan-1-amine
CID 172700916
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
N-butyl-1-pentoxydecan-1-amine
CID 172707813
N-(3-hexoxybutyl)-2-methylprop-2-enamide
CID 102118156
2-hexoxyethyl 2-cyanoprop-2-enoate
CID 20547382
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
2-cyanoprop-2-enoic acid;octyl nitrite
CID 174488105
2-butoxy-N-pentyldecanamide
CID 54280474
1-(2-pentoxyethoxy)ethyl 2-cyanoprop-2-enoate
CID 87744175
ethyl 3-(2-cyanoprop-2-enoyloxy)octanoate
CID 87320372

Frequently Asked Questions

What is the IUPAC name of N-(1-butoxydecyl)-2-cyanoprop-2-enamide?
The IUPAC name of N-(1-butoxydecyl)-2-cyanoprop-2-enamide (CID 19079930) is N-(1-butoxydecyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for N-(1-butoxydecyl)-2-cyanoprop-2-enamide?
The canonical SMILES for N-(1-butoxydecyl)-2-cyanoprop-2-enamide is C=C(C#N)C(=O)NC(CCCCCCCCC)OCCCC.
What is the InChIKey of N-(1-butoxydecyl)-2-cyanoprop-2-enamide?
The InChIKey is LFBXJXGPLOVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-6-8-9-10-11-12-13-17(22-14-7-5-2)20-18(21)16(3)15-19/h17H,3-14H2,1-2H3,(H,20,21).
What are the key properties of N-(1-butoxydecyl)-2-cyanoprop-2-enamide?
N-(1-butoxydecyl)-2-cyanoprop-2-enamide has a molecular weight of 308.47 g/mol, XLogP of 4.47, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butoxydecyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 19079930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).