carbamic acid;docosanoic acid

C23H47NO4 — CID 170310073

IUPACcarbamic acid;docosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.NC(=O)O
InChIInChI=1S/C22H44O2.CH3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2-1(3)4/h2-21H2,1H3,(H,23,24);2H2,(H,3,4)
InChIKeyYQYZNVBIUOGQFL-UHFFFAOYSA-N
MW401.63 g/mol
LogP7.52
Rot. Bonds20

About carbamic acid;docosanoic acid

carbamic acid;docosanoic acid (PubChem CID 170310073) has the molecular formula C23H47NO4 and a molecular weight of 401.63 g/mol. Its IUPAC name is carbamic acid;docosanoic acid.

Molecular Properties

Compound Namecarbamic acid;docosanoic acid
PubChem CID170310073
Molecular FormulaC23H47NO4
Molecular Weight401.63 g/mol
Exact Mass401.35
IUPAC Namecarbamic acid;docosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.NC(=O)O
InChIInChI=1S/C22H44O2.CH3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2-1(3)4/h2-21H2,1H3,(H,23,24);2H2,(H,3,4)
InChIKeyYQYZNVBIUOGQFL-UHFFFAOYSA-N
XLogP7.52
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.63
LogP ≤ 57.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;carbamic acid;hexadecanoic acid
CID 174832395
dodecanamide;dodecanoic acid
CID 23079031
dodecanamide;hexanoic acid
CID 19807771
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
decanoic acid
CID 173247116
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161

Frequently Asked Questions

What is the IUPAC name of carbamic acid;docosanoic acid?
The IUPAC name of carbamic acid;docosanoic acid (CID 170310073) is carbamic acid;docosanoic acid.
What is the SMILES notation for carbamic acid;docosanoic acid?
The canonical SMILES for carbamic acid;docosanoic acid is CCCCCCCCCCCCCCCCCCCCCC(=O)O.NC(=O)O.
What is the InChIKey of carbamic acid;docosanoic acid?
The InChIKey is YQYZNVBIUOGQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2.CH3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2-1(3)4/h2-21H2,1H3,(H,23,24);2H2,(H,3,4).
What are the key properties of carbamic acid;docosanoic acid?
carbamic acid;docosanoic acid has a molecular weight of 401.63 g/mol, XLogP of 7.52, 20 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;docosanoic acid is sourced from PubChem (CID 170310073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).