1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea

C19H28N4O3 — CID 134039404

IUPAC1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N4O3/c24-18(20-13-17-7-4-12-26-17)21-15-8-10-16(11-9-15)23-19(25)22-14-5-2-1-3-6-14/h8-11,14,17H,1-7,12-13H2,(H2,20,21,24)(H2,22,23,25)
InChIKeySFIJXSIOBFFBBT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.44
Rot. Bonds5

About 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea

1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea (PubChem CID 134039404) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
PubChem CID134039404
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N4O3/c24-18(20-13-17-7-4-12-26-17)21-15-8-10-16(11-9-15)23-19(25)22-14-5-2-1-3-6-14/h8-11,14,17H,1-7,12-13H2,(H2,20,21,24)(H2,22,23,25)
InChIKeySFIJXSIOBFFBBT-UHFFFAOYSA-N
XLogP3.44
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]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

4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea (CID 134039404) is 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea is O=C(NCC1CCCO1)Nc1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
The InChIKey is SFIJXSIOBFFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-18(20-13-17-7-4-12-26-17)21-15-8-10-16(11-9-15)23-19(25)22-14-5-2-1-3-6-14/h8-11,14,17H,1-7,12-13H2,(H2,20,21,24)(H2,22,23,25).
What are the key properties of 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea has a molecular weight of 360.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 134039404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).