1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea

C16H26N2O2 — CID 47392478

IUPAC1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
SMILESCCC(C)Oc1cccc(NC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-6-12(4)20-15-9-7-8-14(10-15)18-16(19)17-13(5)11(2)3/h7-13H,6H2,1-5H3,(H2,17,18,19)
InChIKeyGRTORHQRURPMSG-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.03
Rot. Bonds6

About 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea

1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea (PubChem CID 47392478) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
PubChem CID47392478
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
SMILESCCC(C)Oc1cccc(NC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-6-12(4)20-15-9-7-8-14(10-15)18-16(19)17-13(5)11(2)3/h7-13H,6H2,1-5H3,(H2,17,18,19)
InChIKeyGRTORHQRURPMSG-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
CID 47392400
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62329609
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
CID 17161721
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244
N-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea (CID 47392478) is 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea is CCC(C)Oc1cccc(NC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea?
The InChIKey is GRTORHQRURPMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-12(4)20-15-9-7-8-14(10-15)18-16(19)17-13(5)11(2)3/h7-13H,6H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea?
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 47392478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).