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

C10H21N3O3 — CID 108867369

IUPACethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCC(C)C
InChIInChI=1S/C10H21N3O3/c1-4-16-10(15)12-6-5-11-9(14)13-7-8(2)3/h8H,4-7H2,1-3H3,(H,12,15)(H2,11,13,14)
InChIKeyLCVSVZRLCSFIND-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.69
Rot. Bonds6

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

ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate (PubChem CID 108867369) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
PubChem CID108867369
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nameethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCC(C)C
InChIInChI=1S/C10H21N3O3/c1-4-16-10(15)12-6-5-11-9(14)13-7-8(2)3/h8H,4-7H2,1-3H3,(H,12,15)(H2,11,13,14)
InChIKeyLCVSVZRLCSFIND-UHFFFAOYSA-N
XLogP0.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.69
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-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
ethyl N-[2-[[(2S)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029197
ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029196
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
CID 108894606
ethyl N-propylcarbamate
CID 12199
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
ethyl N-[2-(2-methylpentylamino)ethyl]carbamate
CID 115906876
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
propyl N-(2-methylpropyl)carbamate
CID 91192078

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate (CID 108867369) is ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate is CCOC(=O)NCCNC(=O)NCC(C)C.
What is the InChIKey of ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate?
The InChIKey is LCVSVZRLCSFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-16-10(15)12-6-5-11-9(14)13-7-8(2)3/h8H,4-7H2,1-3H3,(H,12,15)(H2,11,13,14).
What are the key properties of ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate?
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate has a molecular weight of 231.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 108867369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).