azane;carbamic acid;hexadecanoic acid

C17H38N2O4 — CID 174832395

IUPACazane;carbamic acid;hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O.N.NC(=O)O
InChIInChI=1S/C16H32O2.CH3NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2-1(3)4;/h2-15H2,1H3,(H,17,18);2H2,(H,3,4);1H3
InChIKeySRYMPYRHURICIV-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.34
Rot. Bonds14

About azane;carbamic acid;hexadecanoic acid

azane;carbamic acid;hexadecanoic acid (PubChem CID 174832395) has the molecular formula C17H38N2O4 and a molecular weight of 334.50 g/mol. Its IUPAC name is azane;carbamic acid;hexadecanoic acid.

Molecular Properties

Compound Nameazane;carbamic acid;hexadecanoic acid
PubChem CID174832395
Molecular FormulaC17H38N2O4
Molecular Weight334.50 g/mol
Exact Mass334.28
IUPAC Nameazane;carbamic acid;hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O.N.NC(=O)O
InChIInChI=1S/C16H32O2.CH3NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2-1(3)4;/h2-15H2,1H3,(H,17,18);2H2,(H,3,4);1H3
InChIKeySRYMPYRHURICIV-UHFFFAOYSA-N
XLogP5.34
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;docosanoic acid
CID 170310073
azane;bis(dodecanoic acid)
CID 173380144
azane;hexacosanoic acid
CID 173436690
dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
azane;octadecanoic acid;zinc
CID 175418700
henicosane;tetracontanoic acid
CID 175935348
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

Frequently Asked Questions

What is the IUPAC name of azane;carbamic acid;hexadecanoic acid?
The IUPAC name of azane;carbamic acid;hexadecanoic acid (CID 174832395) is azane;carbamic acid;hexadecanoic acid.
What is the SMILES notation for azane;carbamic acid;hexadecanoic acid?
The canonical SMILES for azane;carbamic acid;hexadecanoic acid is CCCCCCCCCCCCCCCC(=O)O.N.NC(=O)O.
What is the InChIKey of azane;carbamic acid;hexadecanoic acid?
The InChIKey is SRYMPYRHURICIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.CH3NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2-1(3)4;/h2-15H2,1H3,(H,17,18);2H2,(H,3,4);1H3.
What are the key properties of azane;carbamic acid;hexadecanoic acid?
azane;carbamic acid;hexadecanoic acid has a molecular weight of 334.50 g/mol, XLogP of 5.34, 14 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbamic acid;hexadecanoic acid is sourced from PubChem (CID 174832395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).