1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea

C11H13N3O2 — CID 60969499

IUPAC1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)C#N
InChIInChI=1S/C11H13N3O2/c1-8(7-12)13-11(15)14-9-5-3-4-6-10(9)16-2/h3-6,8H,1-2H3,(H2,13,14,15)
InChIKeyPEYPNQGPVWRKAG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.73
Rot. Bonds3

About 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea

1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea (PubChem CID 60969499) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
PubChem CID60969499
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)C#N
InChIInChI=1S/C11H13N3O2/c1-8(7-12)13-11(15)14-9-5-3-4-6-10(9)16-2/h3-6,8H,1-2H3,(H2,13,14,15)
InChIKeyPEYPNQGPVWRKAG-UHFFFAOYSA-N
XLogP1.73
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-(2-methoxyphenyl)-3-pent-4-yn-2-ylurea
CID 115662879
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
2-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82180832

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea (CID 60969499) is 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC(C)C#N.
What is the InChIKey of 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea?
The InChIKey is PEYPNQGPVWRKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(7-12)13-11(15)14-9-5-3-4-6-10(9)16-2/h3-6,8H,1-2H3,(H2,13,14,15).
What are the key properties of 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea?
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea has a molecular weight of 219.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 60969499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).