N-carbamimidoyl-N-cyanooctadecanamide

C20H38N4O — CID 154089236

IUPACN-carbamimidoyl-N-cyanooctadecanamide
SMILES[H]/N=C(\N)N(C#N)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)24(18-21)20(22)23/h2-17H2,1H3,(H3,22,23)
InChIKeyJBPILYLERLEQMZ-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.45
Rot. Bonds16

About N-carbamimidoyl-N-cyanooctadecanamide

N-carbamimidoyl-N-cyanooctadecanamide (PubChem CID 154089236) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is N-carbamimidoyl-N-cyanooctadecanamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-cyanooctadecanamide
PubChem CID154089236
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC NameN-carbamimidoyl-N-cyanooctadecanamide
SMILES[H]/N=C(\N)N(C#N)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)24(18-21)20(22)23/h2-17H2,1H3,(H3,22,23)
InChIKeyJBPILYLERLEQMZ-UHFFFAOYSA-N
XLogP5.45
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-carbamimidoyl-N-carbamoyldodecanamide
CID 154094348
henicosanoyl cyanide
CID 54273514
[carbamimidoyl(methyl)amino] octadecanoate
CID 141088289
(2S)-2-amino-5-[carbamimidoyl(tetradecanoyl)amino]pentanoic acid
CID 87374783
N,N-bis(2-cyanoethyl)dodecanamide
CID 3396127
acetic acid;1,1-dioctylguanidine
CID 71338115
acetic acid;1-dodecyl-1-methylguanidine
CID 23124067
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
heptanimidoyl cyanide
CID 155128085
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
tetradecanamide
CID 175692014

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-cyanooctadecanamide?
The IUPAC name of N-carbamimidoyl-N-cyanooctadecanamide (CID 154089236) is N-carbamimidoyl-N-cyanooctadecanamide.
What is the SMILES notation for N-carbamimidoyl-N-cyanooctadecanamide?
The canonical SMILES for N-carbamimidoyl-N-cyanooctadecanamide is [H]/N=C(\N)N(C#N)C(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-carbamimidoyl-N-cyanooctadecanamide?
The InChIKey is JBPILYLERLEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)24(18-21)20(22)23/h2-17H2,1H3,(H3,22,23).
What are the key properties of N-carbamimidoyl-N-cyanooctadecanamide?
N-carbamimidoyl-N-cyanooctadecanamide has a molecular weight of 350.55 g/mol, XLogP of 5.45, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-cyanooctadecanamide is sourced from PubChem (CID 154089236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).