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

C7H13N3O2 — CID 63285915

IUPAC1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCC#N)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-12-6-5-10(7(9)11)4-2-3-8/h2,4-6H2,1H3,(H2,9,11)
InChIKeyNOPPBHVRLQWRMJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.07
Rot. Bonds5

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

1-(2-cyanoethyl)-1-(2-methoxyethyl)urea (PubChem CID 63285915) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
PubChem CID63285915
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCC#N)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-12-6-5-10(7(9)11)4-2-3-8/h2,4-6H2,1H3,(H2,9,11)
InChIKeyNOPPBHVRLQWRMJ-UHFFFAOYSA-N
XLogP-0.07
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81088238
3-amino-N-(2-cyanoethyl)-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112850
cis-(1R,3S)-3-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114092315
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63286611
1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 63286552
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea (CID 63285915) is 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea is COCCN(CCC#N)C(N)=O.
What is the InChIKey of 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
The InChIKey is NOPPBHVRLQWRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-12-6-5-10(7(9)11)4-2-3-8/h2,4-6H2,1H3,(H2,9,11).
What are the key properties of 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea?
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea has a molecular weight of 171.20 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 63285915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).