3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea

C11H21N3O2 — CID 63286955

IUPAC3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
SMILESCCCCNC(=O)N(CCC#N)CCOC
InChIInChI=1S/C11H21N3O2/c1-3-4-7-13-11(15)14(8-5-6-12)9-10-16-2/h3-5,7-10H2,1-2H3,(H,13,15)
InChIKeyDSLVYLYJFVQCBJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.36
Rot. Bonds8

About 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea

3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea (PubChem CID 63286955) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
PubChem CID63286955
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
SMILESCCCCNC(=O)N(CCC#N)CCOC
InChIInChI=1S/C11H21N3O2/c1-3-4-7-13-11(15)14(8-5-6-12)9-10-16-2/h3-5,7-10H2,1-2H3,(H,13,15)
InChIKeyDSLVYLYJFVQCBJ-UHFFFAOYSA-N
XLogP1.36
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide
CID 63286811
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
(2S)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63286518
(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756766
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
3-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 63286649
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445473

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea (CID 63286955) is 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea is CCCCNC(=O)N(CCC#N)CCOC.
What is the InChIKey of 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
The InChIKey is DSLVYLYJFVQCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-4-7-13-11(15)14(8-5-6-12)9-10-16-2/h3-5,7-10H2,1-2H3,(H,13,15).
What are the key properties of 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea has a molecular weight of 227.31 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 63286955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).