1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea

C37H41N3O2 — CID 11526943

IUPAC1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)NC1CCC(CCNC2c3ccccc3-c3ccccc32)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H41N3O2/c1-26(37(42,28-12-4-2-5-13-28)29-14-6-3-7-15-29)39-36(41)40-30-22-20-27(21-23-30)24-25-38-35-33-18-10-8-16-31(33)32-17-9-11-19-34(32)35/h2-19,26-27,30,35,38,42H,20-25H2,1H3,(H2,39,40,41)/t26-,27?,30?/m1/s1
InChIKeyKKKFLQZDBMPGBI-FVEFLQRYSA-N
MW559.75 g/mol
LogP6.92
Rot. Bonds9

About 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea

1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea (PubChem CID 11526943) has the molecular formula C37H41N3O2 and a molecular weight of 559.75 g/mol. Its IUPAC name is 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
PubChem CID11526943
Molecular FormulaC37H41N3O2
Molecular Weight559.75 g/mol
Exact Mass559.32
IUPAC Name1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)NC1CCC(CCNC2c3ccccc3-c3ccccc32)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H41N3O2/c1-26(37(42,28-12-4-2-5-13-28)29-14-6-3-7-15-29)39-36(41)40-30-22-20-27(21-23-30)24-25-38-35-33-18-10-8-16-31(33)32-17-9-11-19-34(32)35/h2-19,26-27,30,35,38,42H,20-25H2,1H3,(H2,39,40,41)/t26-,27?,30?/m1/s1
InChIKeyKKKFLQZDBMPGBI-FVEFLQRYSA-N
XLogP6.92
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.75
LogP ≤ 56.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea with MolForge

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Related Compounds

1-[4-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
CID 11598713
1-[4-[2-(benzylamino)ethyl]cyclohexyl]-3-(1-hydroxy-1,1-diphenylpropan-2-yl)urea
CID 73061113
1-[4-[2-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclohexyl]-3-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
CID 11641933
1-[4-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]cyclohexyl]-3-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]urea
CID 51023472
1-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-[4-[2-(2-phenylpiperidin-1-yl)ethyl]cyclohexyl]urea
CID 69080828
2-methylpropyl 2-[2-[4-[[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]carbamoylamino]cyclohexyl]ethyl-methylamino]acetate
CID 69078670
1-[4-[2-[(2R,6R)-3-azatetracyclo[5.4.0.02,4.04,6]undeca-1(11),7,9-trien-3-yl]ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]urea
CID 89145990
1-[4-[2-[(1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]-3-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]urea
CID 11706448
1-[4-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]cyclohexyl]-3-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]urea
CID 91464277
1-(1-cyano-1,1-diphenylpropan-2-yl)-3-[4-(1,3-dioxolan-2-ylmethyl)cyclohexyl]urea
CID 76639179
N-(1-hydroxy-1,1-diphenylpropan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 156609416
(2R)-N-cyclopentyl-2-(9H-fluoren-9-ylamino)propanamide
CID 95121049

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea?
The IUPAC name of 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea (CID 11526943) is 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea.
What is the SMILES notation for 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea?
The canonical SMILES for 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea is C[C@@H](NC(=O)NC1CCC(CCNC2c3ccccc3-c3ccccc32)CC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea?
The InChIKey is KKKFLQZDBMPGBI-FVEFLQRYSA-N. The full InChI is InChI=1S/C37H41N3O2/c1-26(37(42,28-12-4-2-5-13-28)29-14-6-3-7-15-29)39-36(41)40-30-22-20-27(21-23-30)24-25-38-35-33-18-10-8-16-31(33)32-17-9-11-19-34(32)35/h2-19,26-27,30,35,38,42H,20-25H2,1H3,(H2,39,40,41)/t26-,27?,30?/m1/s1.
What are the key properties of 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea?
1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea has a molecular weight of 559.75 g/mol, XLogP of 6.92, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(9H-fluoren-9-ylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea is sourced from PubChem (CID 11526943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).