butyl N-(3-hydroxypropyl)carbamate

C8H17NO3 — CID 57302125

IUPACbutyl N-(3-hydroxypropyl)carbamate
SMILESCCCCOC(=O)NCCCO
InChIInChI=1S/C8H17NO3/c1-2-3-7-12-8(11)9-5-4-6-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyFEISJTGTTHPTBO-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.90
Rot. Bonds6

About butyl N-(3-hydroxypropyl)carbamate

butyl N-(3-hydroxypropyl)carbamate (PubChem CID 57302125) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is butyl N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Namebutyl N-(3-hydroxypropyl)carbamate
PubChem CID57302125
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namebutyl N-(3-hydroxypropyl)carbamate
SMILESCCCCOC(=O)NCCCO
InChIInChI=1S/C8H17NO3/c1-2-3-7-12-8(11)9-5-4-6-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyFEISJTGTTHPTBO-UHFFFAOYSA-N
XLogP0.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.90
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

butyl N-butylcarbamate;molecular hydrogen
CID 142164887
2-hydroxyethyl N-heptylcarbamate
CID 124705283
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
azane;octyl N-octylcarbamate
CID 175531380
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
octadecyl N-propylcarbamate
CID 175015942
butyl N-[2-(pentanoylamino)ethyl]carbamate
CID 108573829

Frequently Asked Questions

What is the IUPAC name of butyl N-(3-hydroxypropyl)carbamate?
The IUPAC name of butyl N-(3-hydroxypropyl)carbamate (CID 57302125) is butyl N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for butyl N-(3-hydroxypropyl)carbamate?
The canonical SMILES for butyl N-(3-hydroxypropyl)carbamate is CCCCOC(=O)NCCCO.
What is the InChIKey of butyl N-(3-hydroxypropyl)carbamate?
The InChIKey is FEISJTGTTHPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-7-12-8(11)9-5-4-6-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of butyl N-(3-hydroxypropyl)carbamate?
butyl N-(3-hydroxypropyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 57302125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).