ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate

C10H21N3O3 — CID 108888216

IUPACethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
SMILESCCCCNC(=O)NCCNC(=O)OCC
InChIInChI=1S/C10H21N3O3/c1-3-5-6-11-9(14)12-7-8-13-10(15)16-4-2/h3-8H2,1-2H3,(H,13,15)(H2,11,12,14)
InChIKeyCAJDKRXDPXTGGM-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.83
Rot. Bonds7

About ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate

ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate (PubChem CID 108888216) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
PubChem CID108888216
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nameethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
SMILESCCCCNC(=O)NCCNC(=O)OCC
InChIInChI=1S/C10H21N3O3/c1-3-5-6-11-9(14)12-7-8-13-10(15)16-4-2/h3-8H2,1-2H3,(H,13,15)(H2,11,12,14)
InChIKeyCAJDKRXDPXTGGM-UHFFFAOYSA-N
XLogP0.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl N-propylcarbamate
CID 12199
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
aminomethyl N-butylcarbamate
CID 139491046
ethyl N-(5-oxopentyl)carbamate
CID 58601506
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
CID 108894606
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
1-butyl-3-octylurea
CID 17269600

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate (CID 108888216) is ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate is CCCCNC(=O)NCCNC(=O)OCC.
What is the InChIKey of ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate?
The InChIKey is CAJDKRXDPXTGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-3-5-6-11-9(14)12-7-8-13-10(15)16-4-2/h3-8H2,1-2H3,(H,13,15)(H2,11,12,14).
What are the key properties of ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate?
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate has a molecular weight of 231.30 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 108888216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).