methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate

C30H33N5O4 — CID 157129627

IUPACmethyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](Cc1ccncc1)C(=O)CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C30H33N5O4/c1-39-29(38)33-25(21-22-16-18-32-19-17-22)26(36)15-9-4-10-20-35-27(37)30(34-28(35)31,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,25H,4,9-10,15,20-21H2,1H3,(H2,31,34)(H,33,38)/t25-/m0/s1
InChIKeyAIXITRZIZZHIME-VWLOTQADSA-N
MW527.63 g/mol
LogP3.58
Rot. Bonds12

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

methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate (PubChem CID 157129627) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate
PubChem CID157129627
Molecular FormulaC30H33N5O4
Molecular Weight527.63 g/mol
Exact Mass527.25
IUPAC Namemethyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](Cc1ccncc1)C(=O)CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C30H33N5O4/c1-39-29(38)33-25(21-22-16-18-32-19-17-22)26(36)15-9-4-10-20-35-27(37)30(34-28(35)31,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,25H,4,9-10,15,20-21H2,1H3,(H2,31,34)(H,33,38)/t25-/m0/s1
InChIKeyAIXITRZIZZHIME-VWLOTQADSA-N
XLogP3.58
TPSA126.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.63
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 153127699
methyl N-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]carbamate
CID 146223995
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
2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
CID 59388082
methyl (2S)-2-(methoxycarbonylamino)-3-pyridin-4-ylpropanoate
CID 169081526
2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
CID 90943143
2-amino-3-[(7S)-7-amino-6-oxo-8-phenyloctyl]-5-(3-methylbutyl)-5-phenylimidazol-4-one
CID 162054517
1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea
CID 59387508
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
tert-butyl N-[(2S)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 15858562
1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
CID 11568495
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate (CID 157129627) is methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate is COC(=O)N[C@@H](Cc1ccncc1)C(=O)CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate?
The InChIKey is AIXITRZIZZHIME-VWLOTQADSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-39-29(38)33-25(21-22-16-18-32-19-17-22)26(36)15-9-4-10-20-35-27(37)30(34-28(35)31,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,25H,4,9-10,15,20-21H2,1H3,(H2,31,34)(H,33,38)/t25-/m0/s1.
What are the key properties of methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate?
methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate has a molecular weight of 527.63 g/mol, XLogP of 3.58, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-pyridin-4-yloctan-2-yl]carbamate is sourced from PubChem (CID 157129627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).