4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate

C14H28N2O6 — CID 175946939

IUPAC4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
SMILESO=C(NCCCCNC(=O)OCCCCO)OCCCCO
InChIInChI=1S/C14H28N2O6/c17-9-3-5-11-21-13(19)15-7-1-2-8-16-14(20)22-12-6-4-10-18/h17-18H,1-12H2,(H,15,19)(H,16,20)
InChIKeyOWGWGNGNMAHADR-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.76
Rot. Bonds13

About 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate

4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate (PubChem CID 175946939) has the molecular formula C14H28N2O6 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate.

Molecular Properties

Compound Name4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
PubChem CID175946939
Molecular FormulaC14H28N2O6
Molecular Weight320.39 g/mol
Exact Mass320.19
IUPAC Name4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
SMILESO=C(NCCCCNC(=O)OCCCCO)OCCCCO
InChIInChI=1S/C14H28N2O6/c17-9-3-5-11-21-13(19)15-7-1-2-8-16-14(20)22-12-6-4-10-18/h17-18H,1-12H2,(H,15,19)(H,16,20)
InChIKeyOWGWGNGNMAHADR-UHFFFAOYSA-N
XLogP0.76
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[6-[4-[4-(4-hydroxybutoxy)-4-oxobutanoyl]oxybutoxycarbonylamino]hexylcarbamoyloxy]butoxy]-4-oxobutanoic acid
CID 101096938
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
2-hydroxyethyl N-heptylcarbamate
CID 124705283
4-[1-(hydroxymethyl)cyclopropyl]butyl N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]carbamate
CID 59125175
2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
CID 103918683
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
5-hydroxypentyl N-methylcarbamate
CID 138694704
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate?
The IUPAC name of 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate (CID 175946939) is 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate.
What is the SMILES notation for 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate?
The canonical SMILES for 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate is O=C(NCCCCNC(=O)OCCCCO)OCCCCO.
What is the InChIKey of 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate?
The InChIKey is OWGWGNGNMAHADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O6/c17-9-3-5-11-21-13(19)15-7-1-2-8-16-14(20)22-12-6-4-10-18/h17-18H,1-12H2,(H,15,19)(H,16,20).
What are the key properties of 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate?
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 0.76, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate is sourced from PubChem (CID 175946939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).