butyl N-[2-(pentanoylamino)ethyl]carbamate

C12H24N2O3 — CID 108573829

IUPACbutyl N-[2-(pentanoylamino)ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)CCCC
InChIInChI=1S/C12H24N2O3/c1-3-5-7-11(15)13-8-9-14-12(16)17-10-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNKCDSXMBJSORDB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.82
Rot. Bonds9

About butyl N-[2-(pentanoylamino)ethyl]carbamate

butyl N-[2-(pentanoylamino)ethyl]carbamate (PubChem CID 108573829) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is butyl N-[2-(pentanoylamino)ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(pentanoylamino)ethyl]carbamate
PubChem CID108573829
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namebutyl N-[2-(pentanoylamino)ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)CCCC
InChIInChI=1S/C12H24N2O3/c1-3-5-7-11(15)13-8-9-14-12(16)17-10-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNKCDSXMBJSORDB-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.82
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
butyl N-[2-(2-oxoethoxy)ethyl]carbamate
CID 142734948
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
octadecyl N-propylcarbamate
CID 175015942
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine
CID 160828496
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(pentanoylamino)ethyl]carbamate?
The IUPAC name of butyl N-[2-(pentanoylamino)ethyl]carbamate (CID 108573829) is butyl N-[2-(pentanoylamino)ethyl]carbamate.
What is the SMILES notation for butyl N-[2-(pentanoylamino)ethyl]carbamate?
The canonical SMILES for butyl N-[2-(pentanoylamino)ethyl]carbamate is CCCCOC(=O)NCCNC(=O)CCCC.
What is the InChIKey of butyl N-[2-(pentanoylamino)ethyl]carbamate?
The InChIKey is NKCDSXMBJSORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-7-11(15)13-8-9-14-12(16)17-10-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of butyl N-[2-(pentanoylamino)ethyl]carbamate?
butyl N-[2-(pentanoylamino)ethyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(pentanoylamino)ethyl]carbamate is sourced from PubChem (CID 108573829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).