propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate

C33H38N4O4 — CID 153127699

IUPACpropan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C33H38N4O4/c1-24(2)41-32(40)35-28(23-25-15-7-3-8-16-25)29(38)21-13-6-14-22-37-30(39)33(36-31(37)34,26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,24,28H,6,13-14,21-23H2,1-2H3,(H2,34,36)(H,35,40)/t28-/m0/s1
InChIKeyVWCLNEAGCNCBLK-NDEPHWFRSA-N
MW554.69 g/mol
LogP4.96
Rot. Bonds13

About propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate

propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate (PubChem CID 153127699) has the molecular formula C33H38N4O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate
PubChem CID153127699
Molecular FormulaC33H38N4O4
Molecular Weight554.69 g/mol
Exact Mass554.29
IUPAC Namepropan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C33H38N4O4/c1-24(2)41-32(40)35-28(23-25-15-7-3-8-16-25)29(38)21-13-6-14-22-37-30(39)33(36-31(37)34,26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,24,28H,6,13-14,21-23H2,1-2H3,(H2,34,36)(H,35,40)/t28-/m0/s1
InChIKeyVWCLNEAGCNCBLK-NDEPHWFRSA-N
XLogP4.96
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.69
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate
CID 157129627
2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
CID 59388082
2-amino-3-[(7S)-7-amino-6-oxo-8-phenyloctyl]-5-(3-methylbutyl)-5-phenylimidazol-4-one
CID 162054517
2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one
CID 89248187
methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 146223963
propan-2-yl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
CID 18391315
2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
CID 90943143
methyl N-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]carbamate
CID 146223995
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea
CID 59387508
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
tert-butyl N-[(2S)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 15858562

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate (CID 153127699) is propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate is CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate?
The InChIKey is VWCLNEAGCNCBLK-NDEPHWFRSA-N. The full InChI is InChI=1S/C33H38N4O4/c1-24(2)41-32(40)35-28(23-25-15-7-3-8-16-25)29(38)21-13-6-14-22-37-30(39)33(36-31(37)34,26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,24,28H,6,13-14,21-23H2,1-2H3,(H2,34,36)(H,35,40)/t28-/m0/s1.
What are the key properties of propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate?
propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate has a molecular weight of 554.69 g/mol, XLogP of 4.96, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate is sourced from PubChem (CID 153127699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).