butyl(dodecanoyloxy)carbamic acid

C17H33NO4 — CID 54414484

IUPACbutyl(dodecanoyloxy)carbamic acid
SMILESCCCCCCCCCCCC(=O)ON(CCCC)C(=O)O
InChIInChI=1S/C17H33NO4/c1-3-5-7-8-9-10-11-12-13-14-16(19)22-18(17(20)21)15-6-4-2/h3-15H2,1-2H3,(H,20,21)
InChIKeyVWKYCMNWQVFZMK-UHFFFAOYSA-N
MW315.45 g/mol
LogP5.15
Rot. Bonds13

About butyl(dodecanoyloxy)carbamic acid

butyl(dodecanoyloxy)carbamic acid (PubChem CID 54414484) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is butyl(dodecanoyloxy)carbamic acid.

Molecular Properties

Compound Namebutyl(dodecanoyloxy)carbamic acid
PubChem CID54414484
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Namebutyl(dodecanoyloxy)carbamic acid
SMILESCCCCCCCCCCCC(=O)ON(CCCC)C(=O)O
InChIInChI=1S/C17H33NO4/c1-3-5-7-8-9-10-11-12-13-14-16(19)22-18(17(20)21)15-6-4-2/h3-15H2,1-2H3,(H,20,21)
InChIKeyVWKYCMNWQVFZMK-UHFFFAOYSA-N
XLogP5.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethylamino pentadecanoate
CID 57147620
sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
CID 175434885
[2-hydroxyethyl(methyl)amino] octanoate
CID 175189868
CID 142695322
CID 142695322
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591

Frequently Asked Questions

What is the IUPAC name of butyl(dodecanoyloxy)carbamic acid?
The IUPAC name of butyl(dodecanoyloxy)carbamic acid (CID 54414484) is butyl(dodecanoyloxy)carbamic acid.
What is the SMILES notation for butyl(dodecanoyloxy)carbamic acid?
The canonical SMILES for butyl(dodecanoyloxy)carbamic acid is CCCCCCCCCCCC(=O)ON(CCCC)C(=O)O.
What is the InChIKey of butyl(dodecanoyloxy)carbamic acid?
The InChIKey is VWKYCMNWQVFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-3-5-7-8-9-10-11-12-13-14-16(19)22-18(17(20)21)15-6-4-2/h3-15H2,1-2H3,(H,20,21).
What are the key properties of butyl(dodecanoyloxy)carbamic acid?
butyl(dodecanoyloxy)carbamic acid has a molecular weight of 315.45 g/mol, XLogP of 5.15, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dodecanoyloxy)carbamic acid is sourced from PubChem (CID 54414484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).