4-decanoyloxybutylcarbamic acid

C15H29NO4 — CID 57087634

IUPAC4-decanoyloxybutylcarbamic acid
SMILESCCCCCCCCCC(=O)OCCCCNC(=O)O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-11-14(17)20-13-10-9-12-16-15(18)19/h16H,2-13H2,1H3,(H,18,19)
InChIKeyRRPAVJRQBVCRQY-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.72
Rot. Bonds13

About 4-decanoyloxybutylcarbamic acid

4-decanoyloxybutylcarbamic acid (PubChem CID 57087634) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-decanoyloxybutylcarbamic acid.

Molecular Properties

Compound Name4-decanoyloxybutylcarbamic acid
PubChem CID57087634
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name4-decanoyloxybutylcarbamic acid
SMILESCCCCCCCCCC(=O)OCCCCNC(=O)O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-11-14(17)20-13-10-9-12-16-15(18)19/h16H,2-13H2,1H3,(H,18,19)
InChIKeyRRPAVJRQBVCRQY-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-nonanoyloxybutylcarbamic acid
CID 57088848
(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate
CID 173280920
dodecyl 6-acetamidohexanoate
CID 21259378
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
octadecyl 12-[(12-octadecoxy-12-oxododecyl)carbamoylcarbamoylamino]dodecanoate
CID 173404500
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836

Frequently Asked Questions

What is the IUPAC name of 4-decanoyloxybutylcarbamic acid?
The IUPAC name of 4-decanoyloxybutylcarbamic acid (CID 57087634) is 4-decanoyloxybutylcarbamic acid.
What is the SMILES notation for 4-decanoyloxybutylcarbamic acid?
The canonical SMILES for 4-decanoyloxybutylcarbamic acid is CCCCCCCCCC(=O)OCCCCNC(=O)O.
What is the InChIKey of 4-decanoyloxybutylcarbamic acid?
The InChIKey is RRPAVJRQBVCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-11-14(17)20-13-10-9-12-16-15(18)19/h16H,2-13H2,1H3,(H,18,19).
What are the key properties of 4-decanoyloxybutylcarbamic acid?
4-decanoyloxybutylcarbamic acid has a molecular weight of 287.40 g/mol, XLogP of 3.72, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decanoyloxybutylcarbamic acid is sourced from PubChem (CID 57087634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).