N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C41H48F2N4O4 — CID 99668408

IUPACN-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C1[C@@H](CCc2ccccc2)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C41H48F2N4O4/c42-33-21-16-31(17-22-33)26-44(35-12-6-2-7-13-35)38(48)28-46-37(25-20-30-10-4-1-5-11-30)40(50)47(41(46)51)29-39(49)45(36-14-8-3-9-15-36)27-32-18-23-34(43)24-19-32/h1,4-5,10-11,16-19,21-24,35-37H,2-3,6-9,12-15,20,25-29H2/t37-/m1/s1
InChIKeyNXDDRDXNPMQMKH-DIPNUNPCSA-N
MW698.86 g/mol
LogP7.25
Rot. Bonds13

About N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 99668408) has the molecular formula C41H48F2N4O4 and a molecular weight of 698.86 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID99668408
Molecular FormulaC41H48F2N4O4
Molecular Weight698.86 g/mol
Exact Mass698.36
IUPAC NameN-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C1[C@@H](CCc2ccccc2)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C41H48F2N4O4/c42-33-21-16-31(17-22-33)26-44(35-12-6-2-7-13-35)38(48)28-46-37(25-20-30-10-4-1-5-11-30)40(50)47(41(46)51)29-39(49)45(36-14-8-3-9-15-36)27-32-18-23-34(43)24-19-32/h1,4-5,10-11,16-19,21-24,35-37H,2-3,6-9,12-15,20,25-29H2/t37-/m1/s1
InChIKeyNXDDRDXNPMQMKH-DIPNUNPCSA-N
XLogP7.25
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.86
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
N-cyclopropyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78813598
N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 112795625
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40843146
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
CID 18124761
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18164964
N-cyclopropyl-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98511802
N-cyclopropyl-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98886415
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909049

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 99668408) is N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C1[C@@H](CCc2ccccc2)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NXDDRDXNPMQMKH-DIPNUNPCSA-N. The full InChI is InChI=1S/C41H48F2N4O4/c42-33-21-16-31(17-22-33)26-44(35-12-6-2-7-13-35)38(48)28-46-37(25-20-30-10-4-1-5-11-30)40(50)47(41(46)51)29-39(49)45(36-14-8-3-9-15-36)27-32-18-23-34(43)24-19-32/h1,4-5,10-11,16-19,21-24,35-37H,2-3,6-9,12-15,20,25-29H2/t37-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 698.86 g/mol, XLogP of 7.25, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 99668408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).