N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate

C26H31F3N3O4- — CID 154297259

IUPACN-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate
SMILESCN1[C@@H](CCNC(=O)[O-])C(=O)N(CCc2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H32F3N3O4/c1-25(2,3)19-9-7-18(8-10-19)22-31(4)21(13-15-30-24(34)35)23(33)32(22)16-14-17-5-11-20(12-6-17)36-26(27,28)29/h5-12,21-22,30H,13-16H2,1-4H3,(H,34,35)/p-1/t21-,22+/m0/s1
InChIKeyVZSJOSJBZDGPBL-FCHUYYIVSA-M
MW506.55 g/mol
LogP3.59
Rot. Bonds8

About N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate

N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate (PubChem CID 154297259) has the molecular formula C26H31F3N3O4- and a molecular weight of 506.55 g/mol. Its IUPAC name is N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate
PubChem CID154297259
Molecular FormulaC26H31F3N3O4-
Molecular Weight506.55 g/mol
Exact Mass506.23
IUPAC NameN-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate
SMILESCN1[C@@H](CCNC(=O)[O-])C(=O)N(CCc2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H32F3N3O4/c1-25(2,3)19-9-7-18(8-10-19)22-31(4)21(13-15-30-24(34)35)23(33)32(22)16-14-17-5-11-20(12-6-17)36-26(27,28)29/h5-12,21-22,30H,13-16H2,1-4H3,(H,34,35)/p-1/t21-,22+/m0/s1
InChIKeyVZSJOSJBZDGPBL-FCHUYYIVSA-M
XLogP3.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3984307
US9815796, Example 455
CID 139268378
US9815796, Example 457
CID 139268380
US9815796, Example 463
CID 139268386
US9815796, Example 464
CID 139268387
US9815796, Example 466
CID 139268389
US9815796, Example 467
CID 139268390
US9815796, Example 506
CID 139268429
US9815796, Example 508
CID 139268431
US9815796, Example 509
CID 139268432
US10285989, Example 28
CID 145996110
US10285989, Example 34
CID 145996115

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate?
The IUPAC name of N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate (CID 154297259) is N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate.
What is the SMILES notation for N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate?
The canonical SMILES for N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate is CN1[C@@H](CCNC(=O)[O-])C(=O)N(CCc2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate?
The InChIKey is VZSJOSJBZDGPBL-FCHUYYIVSA-M. The full InChI is InChI=1S/C26H32F3N3O4/c1-25(2,3)19-9-7-18(8-10-19)22-31(4)21(13-15-30-24(34)35)23(33)32(22)16-14-17-5-11-20(12-6-17)36-26(27,28)29/h5-12,21-22,30H,13-16H2,1-4H3,(H,34,35)/p-1/t21-,22+/m0/s1.
What are the key properties of N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate?
N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate has a molecular weight of 506.55 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4S)-2-(4-tert-butylphenyl)-3-methyl-5-oxo-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]imidazolidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 154297259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).