3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea

C11H25N3O2 — CID 83116380

IUPAC3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea
SMILESCOCC(NCCNC(=O)N(C)C)C(C)C
InChIInChI=1S/C11H25N3O2/c1-9(2)10(8-16-5)12-6-7-13-11(15)14(3)4/h9-10,12H,6-8H2,1-5H3,(H,13,15)
InChIKeyLWNYKMUBFUEEMQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.52
Rot. Bonds7

About 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea

3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83116380) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea
PubChem CID83116380
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea
SMILESCOCC(NCCNC(=O)N(C)C)C(C)C
InChIInChI=1S/C11H25N3O2/c1-9(2)10(8-16-5)12-6-7-13-11(15)14(3)4/h9-10,12H,6-8H2,1-5H3,(H,13,15)
InChIKeyLWNYKMUBFUEEMQ-UHFFFAOYSA-N
XLogP0.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.52
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

3-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpropanamide
CID 65048928
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 65049142
3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea
CID 115580140
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
CID 83110719
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
tert-butyl N-[3-[(1-methoxy-3-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 103781260
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 83110298
2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
CID 83120791
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
CID 103254023
3-[2-(dimethylcarbamoylamino)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114898904
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea (CID 83116380) is 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea is COCC(NCCNC(=O)N(C)C)C(C)C.
What is the InChIKey of 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is LWNYKMUBFUEEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-9(2)10(8-16-5)12-6-7-13-11(15)14(3)4/h9-10,12H,6-8H2,1-5H3,(H,13,15).
What are the key properties of 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 231.34 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).