2-(ethylcarbamoylamino)ethyl 2-methylpropanoate

C9H18N2O3 — CID 71876541

IUPAC2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
SMILESCCNC(=O)NCCOC(=O)C(C)C
InChIInChI=1S/C9H18N2O3/c1-4-10-9(13)11-5-6-14-8(12)7(2)3/h7H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyFWGKNDDTNGELKG-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.50
Rot. Bonds5

About 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate

2-(ethylcarbamoylamino)ethyl 2-methylpropanoate (PubChem CID 71876541) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
PubChem CID71876541
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
SMILESCCNC(=O)NCCOC(=O)C(C)C
InChIInChI=1S/C9H18N2O3/c1-4-10-9(13)11-5-6-14-8(12)7(2)3/h7H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyFWGKNDDTNGELKG-UHFFFAOYSA-N
XLogP0.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.50
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

2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
2-(ethylcarbamoylamino)ethyl butanoate
CID 56805139
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
2-(ethylcarbamoylamino)ethyl 2-(3-tert-butylphenoxy)propanoate
CID 86937843
1,3-diethylurea;ethane
CID 142885504
2-(2-methylpropylamino)ethyl 2-methylpropanoate
CID 137470797
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate
CID 158222142
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate
CID 130305252
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate?
The IUPAC name of 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate (CID 71876541) is 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate is CCNC(=O)NCCOC(=O)C(C)C.
What is the InChIKey of 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate?
The InChIKey is FWGKNDDTNGELKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-10-9(13)11-5-6-14-8(12)7(2)3/h7H,4-6H2,1-3H3,(H2,10,11,13).
What are the key properties of 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate?
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate has a molecular weight of 202.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)ethyl 2-methylpropanoate is sourced from PubChem (CID 71876541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).