tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate

C29H32N4O3 — CID 89115760

IUPACtert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate
SMILESCN1C(=O)[C@](c2ccccc2)(c2cccc(-c3cccc(CCNC(=O)OC(C)(C)C)c3)c2)N=C1N
InChIInChI=1S/C29H32N4O3/c1-28(2,3)36-27(35)31-17-16-20-10-8-11-21(18-20)22-12-9-15-24(19-22)29(23-13-6-5-7-14-23)25(34)33(4)26(30)32-29/h5-15,18-19H,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t29-/m0/s1
InChIKeyQSRGNQIYECJRFT-LJAQVGFWSA-N
MW484.60 g/mol
LogP4.45
Rot. Bonds6

About tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate

tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate (PubChem CID 89115760) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate
PubChem CID89115760
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Nametert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate
SMILESCN1C(=O)[C@](c2ccccc2)(c2cccc(-c3cccc(CCNC(=O)OC(C)(C)C)c3)c2)N=C1N
InChIInChI=1S/C29H32N4O3/c1-28(2,3)36-27(35)31-17-16-20-10-8-11-21(18-20)22-12-9-15-24(19-22)29(23-13-6-5-7-14-23)25(34)33(4)26(30)32-29/h5-15,18-19H,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t29-/m0/s1
InChIKeyQSRGNQIYECJRFT-LJAQVGFWSA-N
XLogP4.45
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate with MolForge

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Related Compounds

2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 68603052
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
tert-butyl N-[1-methyl-4-(3-nitrophenyl)-5-oxo-4-phenylimidazol-2-yl]carbamate
CID 139271356
2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 25063755
3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4,4-diphenylimidazol-1-yl]methyl]benzoic acid
CID 135154372
[3-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]methanesulfonic acid
CID 90849888
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-hydroxybutyl)phenyl]-3-methylimidazol-4-one
CID 67565324

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate (CID 89115760) is tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate is CN1C(=O)[C@](c2ccccc2)(c2cccc(-c3cccc(CCNC(=O)OC(C)(C)C)c3)c2)N=C1N.
What is the InChIKey of tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate?
The InChIKey is QSRGNQIYECJRFT-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-28(2,3)36-27(35)31-17-16-20-10-8-11-21(18-20)22-12-9-15-24(19-22)29(23-13-6-5-7-14-23)25(34)33(4)26(30)32-29/h5-15,18-19H,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t29-/m0/s1.
What are the key properties of tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate has a molecular weight of 484.60 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[3-[(4S)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 89115760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).