1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

C19H27N3O3 — CID 60583718

IUPAC1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCCC(C)Oc1cccc(NC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H27N3O3/c1-5-14(2)25-16-9-6-8-15(12-16)21-19(23)20-13-17(22(3)4)18-10-7-11-24-18/h6-12,14,17H,5,13H2,1-4H3,(H2,20,21,23)
InChIKeyAYXWCOGLPYAUKQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.88
Rot. Bonds8

About 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (PubChem CID 60583718) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
PubChem CID60583718
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCCC(C)Oc1cccc(NC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H27N3O3/c1-5-14(2)25-16-9-6-8-15(12-16)21-19(23)20-13-17(22(3)4)18-10-7-11-24-18/h6-12,14,17H,5,13H2,1-4H3,(H2,20,21,23)
InChIKeyAYXWCOGLPYAUKQ-UHFFFAOYSA-N
XLogP3.88
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]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-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
CID 60577408
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
CID 47392400
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 97316852
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
CID 60569811
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea
CID 51946012

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (CID 60583718) is 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is CCC(C)Oc1cccc(NC(=O)NCC(c2ccco2)N(C)C)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The InChIKey is AYXWCOGLPYAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-14(2)25-16-9-6-8-15(12-16)21-19(23)20-13-17(22(3)4)18-10-7-11-24-18/h6-12,14,17H,5,13H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea has a molecular weight of 345.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 60583718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).