formic acid;octadecanimidamide

C19H40N2O2 — CID 160757976

IUPACformic acid;octadecanimidamide
SMILESO=CO.[H]/N=C(\N)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38N2.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h2-17H2,1H3,(H3,19,20);1H,(H,2,3)
InChIKeyRXRISXPXDLMBSZ-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.88
Rot. Bonds16

About formic acid;octadecanimidamide

formic acid;octadecanimidamide (PubChem CID 160757976) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is formic acid;octadecanimidamide.

Molecular Properties

Compound Nameformic acid;octadecanimidamide
PubChem CID160757976
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC Nameformic acid;octadecanimidamide
SMILESO=CO.[H]/N=C(\N)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38N2.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h2-17H2,1H3,(H3,19,20);1H,(H,2,3)
InChIKeyRXRISXPXDLMBSZ-UHFFFAOYSA-N
XLogP5.88
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze formic acid;octadecanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octadecanediimidamide;dihydrochloride
CID 24741615
4-hexoxybutanimidamide
CID 29003057
2-iminohexadecanal
CID 142761147
4-[methyl(pentyl)amino]butanimidamide
CID 43294979
8-amino-8-iminooctanoic acid
CID 139654610
formic acid;henicosane-7,12-dione
CID 175044766
(5-amino-5-iminopentyl) acetate
CID 54523282
ethyl formate;pentanimidamide;1H-pyrrole
CID 174756411
7-hydroxyheptanimidamide;hydrochloride
CID 158249360
formic acid;icosanoic acid
CID 161473849
formic acid;heptan-1-amine
CID 144828464
decan-1-amine;formic acid
CID 157494086

Frequently Asked Questions

What is the IUPAC name of formic acid;octadecanimidamide?
The IUPAC name of formic acid;octadecanimidamide (CID 160757976) is formic acid;octadecanimidamide.
What is the SMILES notation for formic acid;octadecanimidamide?
The canonical SMILES for formic acid;octadecanimidamide is O=CO.[H]/N=C(\N)CCCCCCCCCCCCCCCCC.
What is the InChIKey of formic acid;octadecanimidamide?
The InChIKey is RXRISXPXDLMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h2-17H2,1H3,(H3,19,20);1H,(H,2,3).
What are the key properties of formic acid;octadecanimidamide?
formic acid;octadecanimidamide has a molecular weight of 328.54 g/mol, XLogP of 5.88, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;octadecanimidamide is sourced from PubChem (CID 160757976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).