1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea

C28H34N4O3 — CID 71177339

IUPAC1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
SMILESNc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C28H34N4O3/c29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19/h7-12,17,19,21-22H,1-6,13-16,29H2,(H2,30,31,33)
InChIKeyIXEAKNHHPZSYGN-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.85
Rot. Bonds6

About 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea

1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea (PubChem CID 71177339) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
PubChem CID71177339
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
SMILESNc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C28H34N4O3/c29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19/h7-12,17,19,21-22H,1-6,13-16,29H2,(H2,30,31,33)
InChIKeyIXEAKNHHPZSYGN-UHFFFAOYSA-N
XLogP5.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea 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-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 59425421
1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 59425514
4-N-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]benzene-1,4-diamine
CID 89039438
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 59426155
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 59606464
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-methyl-1H-pyrazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 59426086
[(1R)-1-phenylethyl] N-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 71177365
1-[3-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]anilino]phenyl]ethanone
CID 70825711
1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 70859284
oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805428
1-cyclobutylethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
CID 70826222

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea?
The IUPAC name of 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea (CID 71177339) is 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea?
The canonical SMILES for 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea is Nc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.
What is the InChIKey of 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea?
The InChIKey is IXEAKNHHPZSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19/h7-12,17,19,21-22H,1-6,13-16,29H2,(H2,30,31,33).
What are the key properties of 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea?
1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea has a molecular weight of 474.61 g/mol, XLogP of 5.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea is sourced from PubChem (CID 71177339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).