2-(butylcarbamoylamino)ethyl 2-methylpropanoate

C11H22N2O3 — CID 176996769

IUPAC2-(butylcarbamoylamino)ethyl 2-methylpropanoate
SMILESCCCCNC(=O)NCCOC(=O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-4-5-6-12-11(15)13-7-8-16-10(14)9(2)3/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyWYSCKVLUMKQHOO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.28
Rot. Bonds7

About 2-(butylcarbamoylamino)ethyl 2-methylpropanoate

2-(butylcarbamoylamino)ethyl 2-methylpropanoate (PubChem CID 176996769) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(butylcarbamoylamino)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(butylcarbamoylamino)ethyl 2-methylpropanoate
PubChem CID176996769
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(butylcarbamoylamino)ethyl 2-methylpropanoate
SMILESCCCCNC(=O)NCCOC(=O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-4-5-6-12-11(15)13-7-8-16-10(14)9(2)3/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyWYSCKVLUMKQHOO-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(butylcarbamoylamino)ethyl 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
1-(2-aminopropyl)-3-butylurea
CID 63733148
1-butyl-3-[2-(2,2-difluoroethoxy)ethyl]urea
CID 103082291
1-butyl-3-octylurea
CID 17269600
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
1-butyl-3-(2-ethoxypropyl)urea
CID 115660949
2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
CID 159728832
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241

Frequently Asked Questions

What is the IUPAC name of 2-(butylcarbamoylamino)ethyl 2-methylpropanoate?
The IUPAC name of 2-(butylcarbamoylamino)ethyl 2-methylpropanoate (CID 176996769) is 2-(butylcarbamoylamino)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(butylcarbamoylamino)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(butylcarbamoylamino)ethyl 2-methylpropanoate is CCCCNC(=O)NCCOC(=O)C(C)C.
What is the InChIKey of 2-(butylcarbamoylamino)ethyl 2-methylpropanoate?
The InChIKey is WYSCKVLUMKQHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-6-12-11(15)13-7-8-16-10(14)9(2)3/h9H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 2-(butylcarbamoylamino)ethyl 2-methylpropanoate?
2-(butylcarbamoylamino)ethyl 2-methylpropanoate has a molecular weight of 230.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylcarbamoylamino)ethyl 2-methylpropanoate is sourced from PubChem (CID 176996769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).