1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea

C19H21N3O2 — CID 60576984

IUPAC1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C19H21N3O2/c1-13(2)14(3)21-19(23)22-16-8-10-17(11-9-16)24-18-7-5-4-6-15(18)12-20/h4-11,13-14H,1-3H3,(H2,21,22,23)
InChIKeyAYNXJRJVOJLXNL-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.52
Rot. Bonds5

About 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea

1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea (PubChem CID 60576984) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
PubChem CID60576984
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C19H21N3O2/c1-13(2)14(3)21-19(23)22-16-8-10-17(11-9-16)24-18-7-5-4-6-15(18)12-20/h4-11,13-14H,1-3H3,(H2,21,22,23)
InChIKeyAYNXJRJVOJLXNL-UHFFFAOYSA-N
XLogP4.52
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-(3-methylbutan-2-yl)urea
CID 47159354
1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
CID 60577685
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652
2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
CID 47486358
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea
CID 2805877
N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577589

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea (CID 60576984) is 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea is CC(C)C(C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1.
What is the InChIKey of 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea?
The InChIKey is AYNXJRJVOJLXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)14(3)21-19(23)22-16-8-10-17(11-9-16)24-18-7-5-4-6-15(18)12-20/h4-11,13-14H,1-3H3,(H2,21,22,23).
What are the key properties of 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea?
1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 60576984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).